diff -Naur lammps-23Jun17/doc/html/.buildinfo lammps-6Jul17/doc/html/.buildinfo
--- lammps-23Jun17/doc/html/.buildinfo	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/.buildinfo	2017-07-06 13:00:41.517377785 -0600
@@ -1,4 +1,4 @@
 # Sphinx build info version 1
 # This file hashes the configuration used when building these files. When it is not found, a full rebuild will be done.
-config: 30d893542e7f2dc96882e769b136ebdc
+config: 793c27dd8545c640dbaa498caca8bf5c
 tags: 645f666f9bcd5a90fca523b33c5a78b7
diff -Naur lammps-23Jun17/doc/html/Manual.html lammps-6Jul17/doc/html/Manual.html
--- lammps-23Jun17/doc/html/Manual.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/Manual.html	2017-07-06 13:00:41.550378769 -0600
@@ -120,7 +120,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="#">Docs</a> &raquo;</li>
       
@@ -148,8 +148,8 @@
             
   <H1></H1><div class="section" id="lammps-documentation">
 <h1>LAMMPS Documentation</h1>
-<div class="section" id="jun-2017-version">
-<h2>23 Jun 2017 version</h2>
+<div class="section" id="jul-2017-version">
+<h2>6 Jul 2017 version</h2>
 </div>
 <div class="section" id="version-info">
 <h2>Version info:</h2>
@@ -294,19 +294,20 @@
 <li class="toctree-l2"><a class="reference internal" href="Section_packages.html#user-mgpt-package">4.45. USER-MGPT package</a></li>
 <li class="toctree-l2"><a class="reference internal" href="Section_packages.html#user-misc-package">4.46. USER-MISC package</a></li>
 <li class="toctree-l2"><a class="reference internal" href="Section_packages.html#user-manifold-package">4.47. USER-MANIFOLD package</a></li>
-<li class="toctree-l2"><a class="reference internal" href="Section_packages.html#user-molfile-package">4.48. USER-MOLFILE package</a></li>
-<li class="toctree-l2"><a class="reference internal" href="Section_packages.html#user-netcdf-package">4.49. USER-NETCDF package</a></li>
-<li class="toctree-l2"><a class="reference internal" href="Section_packages.html#user-omp-package">4.50. USER-OMP package</a></li>
-<li class="toctree-l2"><a class="reference internal" href="Section_packages.html#user-phonon-package">4.51. USER-PHONON package</a></li>
-<li class="toctree-l2"><a class="reference internal" href="Section_packages.html#user-qmmm-package">4.52. USER-QMMM package</a></li>
-<li class="toctree-l2"><a class="reference internal" href="Section_packages.html#user-qtb-package">4.53. USER-QTB package</a></li>
-<li class="toctree-l2"><a class="reference internal" href="Section_packages.html#user-quip-package">4.54. USER-QUIP package</a></li>
-<li class="toctree-l2"><a class="reference internal" href="Section_packages.html#user-reaxc-package">4.55. USER-REAXC package</a></li>
-<li class="toctree-l2"><a class="reference internal" href="Section_packages.html#user-smd-package">4.56. USER-SMD package</a></li>
-<li class="toctree-l2"><a class="reference internal" href="Section_packages.html#user-smtbq-package">4.57. USER-SMTBQ package</a></li>
-<li class="toctree-l2"><a class="reference internal" href="Section_packages.html#user-sph-package">4.58. USER-SPH package</a></li>
-<li class="toctree-l2"><a class="reference internal" href="Section_packages.html#user-tally-package">4.59. USER-TALLY package</a></li>
-<li class="toctree-l2"><a class="reference internal" href="Section_packages.html#user-vtk-package">4.60. USER-VTK package</a></li>
+<li class="toctree-l2"><a class="reference internal" href="Section_packages.html#user-meamc-package">4.48. USER-MEAMC package</a></li>
+<li class="toctree-l2"><a class="reference internal" href="Section_packages.html#user-molfile-package">4.49. USER-MOLFILE package</a></li>
+<li class="toctree-l2"><a class="reference internal" href="Section_packages.html#user-netcdf-package">4.50. USER-NETCDF package</a></li>
+<li class="toctree-l2"><a class="reference internal" href="Section_packages.html#user-omp-package">4.51. USER-OMP package</a></li>
+<li class="toctree-l2"><a class="reference internal" href="Section_packages.html#user-phonon-package">4.52. USER-PHONON package</a></li>
+<li class="toctree-l2"><a class="reference internal" href="Section_packages.html#user-qmmm-package">4.53. USER-QMMM package</a></li>
+<li class="toctree-l2"><a class="reference internal" href="Section_packages.html#user-qtb-package">4.54. USER-QTB package</a></li>
+<li class="toctree-l2"><a class="reference internal" href="Section_packages.html#user-quip-package">4.55. USER-QUIP package</a></li>
+<li class="toctree-l2"><a class="reference internal" href="Section_packages.html#user-reaxc-package">4.56. USER-REAXC package</a></li>
+<li class="toctree-l2"><a class="reference internal" href="Section_packages.html#user-smd-package">4.57. USER-SMD package</a></li>
+<li class="toctree-l2"><a class="reference internal" href="Section_packages.html#user-smtbq-package">4.58. USER-SMTBQ package</a></li>
+<li class="toctree-l2"><a class="reference internal" href="Section_packages.html#user-sph-package">4.59. USER-SPH package</a></li>
+<li class="toctree-l2"><a class="reference internal" href="Section_packages.html#user-tally-package">4.60. USER-TALLY package</a></li>
+<li class="toctree-l2"><a class="reference internal" href="Section_packages.html#user-vtk-package">4.61. USER-VTK package</a></li>
 </ul>
 </li>
 <li class="toctree-l1"><a class="reference internal" href="Section_accelerate.html">5. Accelerating LAMMPS performance</a><ul>
diff -Naur lammps-23Jun17/doc/html/Section_accelerate.html lammps-6Jul17/doc/html/Section_accelerate.html
--- lammps-23Jun17/doc/html/Section_accelerate.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/Section_accelerate.html	2017-07-06 13:00:41.556378947 -0600
@@ -134,7 +134,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/Section_commands.html lammps-6Jul17/doc/html/Section_commands.html
--- lammps-23Jun17/doc/html/Section_commands.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/Section_commands.html	2017-07-06 13:00:41.534378291 -0600
@@ -136,7 +136,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
@@ -1295,10 +1295,10 @@
 if <a class="reference internal" href="Section_start.html#start-3"><span>LAMMPS is built with the appropriate package</span></a>.</p>
 <table border="1" class="docutils">
 <colgroup>
-<col width="24%" />
-<col width="29%" />
+<col width="21%" />
 <col width="25%" />
-<col width="22%" />
+<col width="31%" />
+<col width="24%" />
 </colgroup>
 <tbody valign="top">
 <tr class="row-odd"><td><a class="reference internal" href="pair_agni.html"><em>agni (o)</em></a></td>
@@ -1336,50 +1336,50 @@
 <td><a class="reference internal" href="pair_sdk.html"><em>lj/sdk/coul/long (go)</em></a></td>
 <td><a class="reference internal" href="pair_sdk.html"><em>lj/sdk/coul/msm (o)</em></a></td>
 </tr>
-<tr class="row-even"><td><a class="reference internal" href="pair_meam_spline.html"><em>meam/spline (o)</em></a></td>
+<tr class="row-even"><td><a class="reference internal" href="pair_meam.html"><em>meam/c</em></a></td>
+<td><a class="reference internal" href="pair_meam_spline.html"><em>meam/spline (o)</em></a></td>
 <td><a class="reference internal" href="pair_meam_sw_spline.html"><em>meam/sw/spline</em></a></td>
 <td><a class="reference internal" href="pair_mgpt.html"><em>mgpt</em></a></td>
-<td><a class="reference internal" href="pair_momb.html"><em>momb</em></a></td>
 </tr>
-<tr class="row-odd"><td><a class="reference internal" href="pair_morse.html"><em>morse/smooth/linear</em></a></td>
+<tr class="row-odd"><td><a class="reference internal" href="pair_momb.html"><em>momb</em></a></td>
+<td><a class="reference internal" href="pair_morse.html"><em>morse/smooth/linear</em></a></td>
 <td><a class="reference internal" href="pair_morse.html"><em>morse/soft</em></a></td>
 <td><a class="reference internal" href="pair_multi_lucy.html"><em>multi/lucy</em></a></td>
-<td><a class="reference internal" href="pair_multi_lucy_rx.html"><em>multi/lucy/rx</em></a></td>
 </tr>
-<tr class="row-even"><td><a class="reference internal" href="pair_oxdna.html"><em>oxdna/coaxstk</em></a></td>
+<tr class="row-even"><td><a class="reference internal" href="pair_multi_lucy_rx.html"><em>multi/lucy/rx</em></a></td>
+<td><a class="reference internal" href="pair_oxdna.html"><em>oxdna/coaxstk</em></a></td>
 <td><a class="reference internal" href="pair_oxdna.html"><em>oxdna/excv</em></a></td>
 <td><a class="reference internal" href="pair_oxdna.html"><em>oxdna/hbond</em></a></td>
-<td><a class="reference internal" href="pair_oxdna.html"><em>oxdna/stk</em></a></td>
 </tr>
-<tr class="row-odd"><td><a class="reference internal" href="pair_oxdna.html"><em>oxdna/xstk</em></a></td>
+<tr class="row-odd"><td><a class="reference internal" href="pair_oxdna.html"><em>oxdna/stk</em></a></td>
+<td><a class="reference internal" href="pair_oxdna.html"><em>oxdna/xstk</em></a></td>
 <td><a class="reference internal" href="pair_oxdna2.html"><em>oxdna2/coaxstk</em></a></td>
 <td><a class="reference internal" href="pair_oxdna2.html"><em>oxdna2/dh</em></a></td>
-<td><a class="reference internal" href="pair_oxdna2.html"><em>oxdna2/excv</em></a></td>
 </tr>
-<tr class="row-even"><td><a class="reference internal" href="pair_oxdna2.html"><em>oxdna2/stk</em></a></td>
+<tr class="row-even"><td><a class="reference internal" href="pair_oxdna2.html"><em>oxdna2/excv</em></a></td>
+<td><a class="reference internal" href="pair_oxdna2.html"><em>oxdna2/stk</em></a></td>
 <td><a class="reference internal" href="pair_quip.html"><em>quip</em></a></td>
 <td><a class="reference internal" href="pair_reaxc.html"><em>reax/c (ko)</em></a></td>
-<td><a class="reference internal" href="pair_smd_hertz.html"><em>smd/hertz</em></a></td>
 </tr>
-<tr class="row-odd"><td><a class="reference internal" href="pair_smd_tlsph.html"><em>smd/tlsph</em></a></td>
+<tr class="row-odd"><td><a class="reference internal" href="pair_smd_hertz.html"><em>smd/hertz</em></a></td>
+<td><a class="reference internal" href="pair_smd_tlsph.html"><em>smd/tlsph</em></a></td>
 <td><a class="reference internal" href="pair_smd_triangulated_surface.html"><em>smd/triangulated/surface</em></a></td>
 <td><a class="reference internal" href="pair_smd_ulsph.html"><em>smd/ulsph</em></a></td>
-<td><a class="reference internal" href="pair_smtbq.html"><em>smtbq</em></a></td>
 </tr>
-<tr class="row-even"><td><a class="reference internal" href="pair_sph_heatconduction.html"><em>sph/heatconduction</em></a></td>
+<tr class="row-even"><td><a class="reference internal" href="pair_smtbq.html"><em>smtbq</em></a></td>
+<td><a class="reference internal" href="pair_sph_heatconduction.html"><em>sph/heatconduction</em></a></td>
 <td><a class="reference internal" href="pair_sph_idealgas.html"><em>sph/idealgas</em></a></td>
 <td><a class="reference internal" href="pair_sph_lj.html"><em>sph/lj</em></a></td>
-<td><a class="reference internal" href="pair_sph_rhosum.html"><em>sph/rhosum</em></a></td>
 </tr>
-<tr class="row-odd"><td><a class="reference internal" href="pair_sph_taitwater.html"><em>sph/taitwater</em></a></td>
+<tr class="row-odd"><td><a class="reference internal" href="pair_sph_rhosum.html"><em>sph/rhosum</em></a></td>
+<td><a class="reference internal" href="pair_sph_taitwater.html"><em>sph/taitwater</em></a></td>
 <td><a class="reference internal" href="pair_sph_taitwater_morris.html"><em>sph/taitwater/morris</em></a></td>
 <td><a class="reference internal" href="pair_srp.html"><em>srp</em></a></td>
-<td><a class="reference internal" href="pair_table_rx.html"><em>table/rx</em></a></td>
 </tr>
-<tr class="row-even"><td><a class="reference internal" href="pair_tersoff.html"><em>tersoff/table (o)</em></a></td>
+<tr class="row-even"><td><a class="reference internal" href="pair_table_rx.html"><em>table/rx</em></a></td>
+<td><a class="reference internal" href="pair_tersoff.html"><em>tersoff/table (o)</em></a></td>
 <td><a class="reference internal" href="pair_thole.html"><em>thole</em></a></td>
 <td><a class="reference internal" href="pair_lj_soft.html"><em>tip4p/long/soft (o)</em></a></td>
-<td>&nbsp;</td>
 </tr>
 </tbody>
 </table>
diff -Naur lammps-23Jun17/doc/html/Section_errors.html lammps-6Jul17/doc/html/Section_errors.html
--- lammps-23Jun17/doc/html/Section_errors.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/Section_errors.html	2017-07-06 13:00:41.522377933 -0600
@@ -128,7 +128,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
@@ -2753,9 +2753,9 @@
 <dt><em>Fix bond/create improper type is invalid</em></dt>
 <dd>Self-explanatory.</dd>
 <dt><em>Fix bond/create induced too many angles/dihedrals/impropers per atom</em></dt>
-<dd>See the read_data command for info on setting the &#8220;extra angle per
-atom&#8221;, etc header values to allow for additional angles, etc to be
-formed.</dd>
+<dd>See the read_data command for info on using the &#8220;extra/angle/per/atom&#8221;,
+(or dihedral, improper) keywords to allow for additional
+angles, dihedrals, and impropers to be formed.</dd>
 <dt><em>Fix bond/create needs ghost atoms from further away</em></dt>
 <dd>This is because the fix needs to walk bonds to a certain distance to
 acquire needed info, The comm_modify cutoff command can be used to
@@ -4462,15 +4462,19 @@
 <dd>This is required to prevent wasting too much memory.</dd>
 <dt><em>New atom IDs exceed maximum allowed ID</em></dt>
 <dd>See the setting for tagint in the src/lmptype.h file.</dd>
-<dt><em>New bond exceeded bonds per atom in create_bonds</em></dt>
-<dd>See the read_data command for info on setting the &#8220;extra bond per
-atom&#8221; header value to allow for additional bonds to be formed.</dd>
+</dl>
+<p><em>New bond exceeded bonds per atom in create_bonds</em>
+See the read_data command for info on using the &#8220;extra/bond/per/atom&#8221;
+keyword to allow for additional bonds to be formed</p>
+<dl class="docutils">
 <dt><em>New bond exceeded bonds per atom in fix bond/create</em></dt>
-<dd>See the read_data command for info on setting the &#8220;extra bond per
-atom&#8221; header value to allow for additional bonds to be formed.</dd>
+<dd>See the read_data command for info on using the &#8220;extra/bond/per/atom&#8221;
+keyword to allow for additional bonds to be formed</dd>
 <dt><em>New bond exceeded special list size in fix bond/create</em></dt>
-<dd>See the special_bonds extra command for info on how to leave space in
-the special bonds list to allow for additional bonds to be formed.</dd>
+<dd>See the &#8220;special_bonds extra&#8221; command
+(or the &#8220;read_data extra/special/per/atom&#8221; command)
+for info on how to leave space in the special bonds
+list to allow for additional bonds to be formed.</dd>
 <dt><em>Newton bond change after simulation box is defined</em></dt>
 <dd>The newton command cannot be used to change the newton bond value
 after a read_data, read_restart, or create_box command.</dd>
@@ -5455,9 +5459,10 @@
 <dd>Smallint stored in restart file is not consistent with LAMMPS version
 you are running.</dd>
 <dt><em>Special list size exceeded in fix bond/create</em></dt>
-<dd>See the read_data command for info on setting the &#8220;extra special per
-atom&#8221; header value to allow for additional special values to be
-stored.</dd>
+<dd>See the special_bonds extra command
+(or the read_data extra/special/per/atom command)
+for info on how to leave space in the special bonds
+list to allow for additional bonds to be formed.</dd>
 <dt><em>Specified processors != physical processors</em></dt>
 <dd>The 3d grid of processors defined by the processors command does not
 match the number of processors LAMMPS is being run on.</dd>
@@ -5466,17 +5471,17 @@
 <dt><em>Sqrt of negative value in variable formula</em></dt>
 <dd>Self-explanatory.</dd>
 <dt><em>Subsequent read data induced too many angles per atom</em></dt>
-<dd>See the create_box extra/angle/per/atom or read_data &#8220;extra angle per
-atom&#8221; header value to set this limit larger.</dd>
+<dd>See the extra/angle/per/atom keyword for the create_box
+or the read_data command to set this limit larger</dd>
 <dt><em>Subsequent read data induced too many bonds per atom</em></dt>
-<dd>See the create_box extra/bond/per/atom or read_data &#8220;extra bond per
-atom&#8221; header value to set this limit larger.</dd>
+<dd>See the extra/bond/per/atom keyword for the create_box
+or the read_data command to set this limit larger</dd>
 <dt><em>Subsequent read data induced too many dihedrals per atom</em></dt>
-<dd>See the create_box extra/dihedral/per/atom or read_data &#8220;extra
-dihedral per atom&#8221; header value to set this limit larger.</dd>
+<dd>See the extra/dihedral/per/atom keyword for the create_box
+or the read_data command to set this limit larger</dd>
 <dt><em>Subsequent read data induced too many impropers per atom</em></dt>
-<dd>See the create_box extra/improper/per/atom or read_data &#8220;extra
-improper per atom&#8221; header value to set this limit larger.</dd>
+<dd>See the extra/improper/per/atom keyword for the create_box
+or the read_data command to set this limit larger</dd>
 <dt><em>Substitution for illegal variable</em></dt>
 <dd>Input script line contained a variable that could not be substituted
 for.</dd>
diff -Naur lammps-23Jun17/doc/html/Section_example.html lammps-6Jul17/doc/html/Section_example.html
--- lammps-23Jun17/doc/html/Section_example.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/Section_example.html	2017-07-06 13:00:41.557378977 -0600
@@ -125,7 +125,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/Section_history.html lammps-6Jul17/doc/html/Section_history.html
--- lammps-23Jun17/doc/html/Section_history.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/Section_history.html	2017-07-06 13:00:41.523377963 -0600
@@ -125,7 +125,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/Section_howto.html lammps-6Jul17/doc/html/Section_howto.html
--- lammps-23Jun17/doc/html/Section_howto.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/Section_howto.html	2017-07-06 13:00:41.526378053 -0600
@@ -176,7 +176,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/Section_intro.html lammps-6Jul17/doc/html/Section_intro.html
--- lammps-23Jun17/doc/html/Section_intro.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/Section_intro.html	2017-07-06 13:00:41.532378233 -0600
@@ -141,7 +141,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/Section_modify.html lammps-6Jul17/doc/html/Section_modify.html
--- lammps-23Jun17/doc/html/Section_modify.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/Section_modify.html	2017-07-06 13:00:41.551378799 -0600
@@ -138,7 +138,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/Section_packages.html lammps-6Jul17/doc/html/Section_packages.html
--- lammps-23Jun17/doc/html/Section_packages.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/Section_packages.html	2017-07-06 13:00:41.550378769 -0600
@@ -126,19 +126,20 @@
 <li class="toctree-l2"><a class="reference internal" href="#user-mgpt-package">4.45. USER-MGPT package</a></li>
 <li class="toctree-l2"><a class="reference internal" href="#user-misc-package">4.46. USER-MISC package</a></li>
 <li class="toctree-l2"><a class="reference internal" href="#user-manifold-package">4.47. USER-MANIFOLD package</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#user-molfile-package">4.48. USER-MOLFILE package</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#user-netcdf-package">4.49. USER-NETCDF package</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#user-omp-package">4.50. USER-OMP package</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#user-phonon-package">4.51. USER-PHONON package</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#user-qmmm-package">4.52. USER-QMMM package</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#user-qtb-package">4.53. USER-QTB package</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#user-quip-package">4.54. USER-QUIP package</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#user-reaxc-package">4.55. USER-REAXC package</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#user-smd-package">4.56. USER-SMD package</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#user-smtbq-package">4.57. USER-SMTBQ package</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#user-sph-package">4.58. USER-SPH package</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#user-tally-package">4.59. USER-TALLY package</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#user-vtk-package">4.60. USER-VTK package</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#user-meamc-package">4.48. USER-MEAMC package</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#user-molfile-package">4.49. USER-MOLFILE package</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#user-netcdf-package">4.50. USER-NETCDF package</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#user-omp-package">4.51. USER-OMP package</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#user-phonon-package">4.52. USER-PHONON package</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#user-qmmm-package">4.53. USER-QMMM package</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#user-qtb-package">4.54. USER-QTB package</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#user-quip-package">4.55. USER-QUIP package</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#user-reaxc-package">4.56. USER-REAXC package</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#user-smd-package">4.57. USER-SMD package</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#user-smtbq-package">4.58. USER-SMTBQ package</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#user-sph-package">4.59. USER-SPH package</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#user-tally-package">4.60. USER-TALLY package</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#user-vtk-package">4.61. USER-VTK package</a></li>
 </ul>
 </li>
 <li class="toctree-l1"><a class="reference internal" href="Section_accelerate.html">5. Accelerating LAMMPS performance</a></li>
@@ -183,7 +184,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
@@ -698,7 +699,16 @@
 </ul>
 </td>
 </tr>
-<tr class="row-even"><td><a class="reference internal" href="#user-mgpt"><span>USER-MGPT</span></a></td>
+<tr class="row-even"><td><a class="reference internal" href="#user-meamc"><span>USER-MEAMC</span></a></td>
+<td>modified EAM potential (C++)</td>
+<td><a class="reference internal" href="pair_meam.html"><em>pair_style meam/c</em></a></td>
+<td>meam</td>
+<td><ul class="first last simple">
+<li></li>
+</ul>
+</td>
+</tr>
+<tr class="row-odd"><td><a class="reference internal" href="#user-mgpt"><span>USER-MGPT</span></a></td>
 <td>fast MGPT multi-ion potentials</td>
 <td><a class="reference internal" href="pair_mgpt.html"><em>pair_style mgpt</em></a></td>
 <td>USER/mgpt</td>
@@ -707,7 +717,7 @@
 </ul>
 </td>
 </tr>
-<tr class="row-odd"><td><a class="reference internal" href="#user-misc"><span>USER-MISC</span></a></td>
+<tr class="row-even"><td><a class="reference internal" href="#user-misc"><span>USER-MISC</span></a></td>
 <td>single-file contributions</td>
 <td>USER-MISC/README</td>
 <td>USER/misc</td>
@@ -716,7 +726,7 @@
 </ul>
 </td>
 </tr>
-<tr class="row-even"><td><a class="reference internal" href="#user-molfile"><span>USER-MOLFILE</span></a></td>
+<tr class="row-odd"><td><a class="reference internal" href="#user-molfile"><span>USER-MOLFILE</span></a></td>
 <td><a class="reference external" href="vmd_home">VMD</a> molfile plug-ins</td>
 <td><a class="reference internal" href="dump_molfile.html"><em>dump molfile</em></a></td>
 <td><ul class="first last simple">
@@ -725,7 +735,7 @@
 </td>
 <td>ext</td>
 </tr>
-<tr class="row-odd"><td><a class="reference internal" href="#user-netcdf"><span>USER-NETCDF</span></a></td>
+<tr class="row-even"><td><a class="reference internal" href="#user-netcdf"><span>USER-NETCDF</span></a></td>
 <td>dump output via NetCDF</td>
 <td><a class="reference internal" href="dump_netcdf.html"><em>dump netcdf</em></a></td>
 <td><ul class="first last simple">
@@ -734,7 +744,7 @@
 </td>
 <td>ext</td>
 </tr>
-<tr class="row-even"><td><a class="reference internal" href="#user-omp"><span>USER-OMP</span></a></td>
+<tr class="row-odd"><td><a class="reference internal" href="#user-omp"><span>USER-OMP</span></a></td>
 <td>OpenMP-enabled styles</td>
 <td><a class="reference internal" href="accelerate_omp.html"><em>Section 5.3.4</em></a></td>
 <td>WWW bench</td>
@@ -743,7 +753,7 @@
 </ul>
 </td>
 </tr>
-<tr class="row-odd"><td><a class="reference internal" href="#user-phonon"><span>USER-PHONON</span></a></td>
+<tr class="row-even"><td><a class="reference internal" href="#user-phonon"><span>USER-PHONON</span></a></td>
 <td>phonon dynamical matrix</td>
 <td><a class="reference internal" href="fix_phonon.html"><em>fix phonon</em></a></td>
 <td>USER/phonon</td>
@@ -752,13 +762,13 @@
 </ul>
 </td>
 </tr>
-<tr class="row-even"><td><a class="reference internal" href="#user-qmmm"><span>USER-QMMM</span></a></td>
+<tr class="row-odd"><td><a class="reference internal" href="#user-qmmm"><span>USER-QMMM</span></a></td>
 <td>QM/MM coupling</td>
 <td><a class="reference internal" href="fix_qmmm.html"><em>fix qmmm</em></a></td>
 <td>USER/qmmm</td>
 <td>ext</td>
 </tr>
-<tr class="row-odd"><td><a class="reference internal" href="#user-qtb"><span>USER-QTB</span></a></td>
+<tr class="row-even"><td><a class="reference internal" href="#user-qtb"><span>USER-QTB</span></a></td>
 <td>quantum nuclear effects</td>
 <td><a class="reference internal" href="fix_qtb.html"><em>fix qtb</em></a> <a class="reference internal" href="fix_qbmsst.html"><em>fix qbmsst</em></a></td>
 <td>qtb</td>
@@ -767,13 +777,13 @@
 </ul>
 </td>
 </tr>
-<tr class="row-even"><td><a class="reference internal" href="#user-quip"><span>USER-QUIP</span></a></td>
+<tr class="row-odd"><td><a class="reference internal" href="#user-quip"><span>USER-QUIP</span></a></td>
 <td>QUIP/libatoms interface</td>
 <td><a class="reference internal" href="pair_quip.html"><em>pair_style quip</em></a></td>
 <td>USER/quip</td>
 <td>ext</td>
 </tr>
-<tr class="row-odd"><td><a class="reference internal" href="#user-reaxc"><span>USER-REAXC</span></a></td>
+<tr class="row-even"><td><a class="reference internal" href="#user-reaxc"><span>USER-REAXC</span></a></td>
 <td>ReaxFF potential (C/C++)</td>
 <td><a class="reference internal" href="pair_reaxc.html"><em>pair_style reaxc</em></a></td>
 <td>reax</td>
@@ -782,13 +792,13 @@
 </ul>
 </td>
 </tr>
-<tr class="row-even"><td><a class="reference internal" href="#user-smd"><span>USER-SMD</span></a></td>
+<tr class="row-odd"><td><a class="reference internal" href="#user-smd"><span>USER-SMD</span></a></td>
 <td>smoothed Mach dynamics</td>
 <td><a class="reference external" href="PDF/SMD_LAMMPS_userguide.pdf">SMD User Guide</a></td>
 <td>USER/smd</td>
 <td>ext</td>
 </tr>
-<tr class="row-odd"><td><a class="reference internal" href="#user-smtbq"><span>USER-SMTBQ</span></a></td>
+<tr class="row-even"><td><a class="reference internal" href="#user-smtbq"><span>USER-SMTBQ</span></a></td>
 <td>second moment tight binding QEq potential</td>
 <td><a class="reference internal" href="pair_smtbq.html"><em>pair_style smtbq</em></a></td>
 <td>USER/smtbq</td>
@@ -797,7 +807,7 @@
 </ul>
 </td>
 </tr>
-<tr class="row-even"><td><a class="reference internal" href="#user-sph"><span>USER-SPH</span></a></td>
+<tr class="row-odd"><td><a class="reference internal" href="#user-sph"><span>USER-SPH</span></a></td>
 <td>smoothed particle hydrodynamics</td>
 <td><a class="reference external" href="PDF/SPH_LAMMPS_userguide.pdf">SPH User Guide</a></td>
 <td>USER/sph</td>
@@ -806,7 +816,7 @@
 </ul>
 </td>
 </tr>
-<tr class="row-odd"><td><a class="reference internal" href="#user-tally"><span>USER-TALLY</span></a></td>
+<tr class="row-even"><td><a class="reference internal" href="#user-tally"><span>USER-TALLY</span></a></td>
 <td>pairwise tally computes</td>
 <td><a class="reference internal" href="compute_tally.html"><em>compute XXX/tally</em></a></td>
 <td>USER/tally</td>
@@ -815,7 +825,7 @@
 </ul>
 </td>
 </tr>
-<tr class="row-even"><td><a class="reference internal" href="#user-vtk"><span>USER-VTK</span></a></td>
+<tr class="row-odd"><td><a class="reference internal" href="#user-vtk"><span>USER-VTK</span></a></td>
 <td>dump output via VTK</td>
 <td><a class="reference internal" href="dump_vtk.html"><em>compute vtk</em></a></td>
 <td><ul class="first last simple">
@@ -824,7 +834,7 @@
 </td>
 <td>ext</td>
 </tr>
-<tr class="row-odd"><td>&nbsp;</td>
+<tr class="row-even"><td>&nbsp;</td>
 <td>&nbsp;</td>
 <td>&nbsp;</td>
 <td>&nbsp;</td>
@@ -2546,8 +2556,36 @@
 </ul>
 <hr class="docutils" />
 </div>
+<div class="section" id="user-meamc-package">
+<span id="user-meamc"></span><h2>4.48. USER-MEAMC package</h2>
+<p><strong>Contents:</strong></p>
+<p>A pair style for the modified embedded atom (MEAM) potential
+translated from the Fortran version in the <a class="reference internal" href="#meam"><span>MEAM</span></a> package
+to plain C++. In contrast to the MEAM package, no library
+needs to be compiled and the pair style can be instantiated
+multiple times.</p>
+<p><strong>Author:</strong> Sebastian Huetter, (Otto-von-Guericke University Magdeburg)
+based on the Fortran version of Greg Wagner (Northwestern U) while at
+Sandia.</p>
+<p><strong>Install or un-install:</strong></p>
+<div class="highlight-python"><div class="highlight"><pre>make yes-user-meamc
+make machine
+
+make no-user-meamc
+make machine
+</pre></div>
+</div>
+<p><strong>Supporting info:</strong></p>
+<ul class="simple">
+<li>src/USER-MEAMC: filenames -&gt; commands</li>
+<li>src/USER-MEAMC/README</li>
+<li><a class="reference internal" href="pair_meam.html"><em>pair meam/c</em></a></li>
+<li>examples/meam</li>
+</ul>
+<hr class="docutils" />
+</div>
 <div class="section" id="user-molfile-package">
-<span id="user-molfile"></span><h2>4.48. USER-MOLFILE package</h2>
+<span id="user-molfile"></span><h2>4.49. USER-MOLFILE package</h2>
 <p><strong>Contents:</strong></p>
 <p>A <a class="reference internal" href="dump_molfile.html"><em>dump molfile</em></a> command which uses molfile plugins
 that are bundled with the <a class="reference external" href="vmd_home">VMD</a>
@@ -2591,7 +2629,7 @@
 <hr class="docutils" />
 </div>
 <div class="section" id="user-netcdf-package">
-<span id="user-netcdf"></span><h2>4.49. USER-NETCDF package</h2>
+<span id="user-netcdf"></span><h2>4.50. USER-NETCDF package</h2>
 <p><strong>Contents:</strong></p>
 <p>Dump styles for writing NetCDF formatted dump files.  NetCDF is a
 portable, binary, self-describing file format developed on top of
@@ -2631,7 +2669,7 @@
 <hr class="docutils" />
 </div>
 <div class="section" id="user-omp-package">
-<span id="user-omp"></span><h2>4.50. USER-OMP package</h2>
+<span id="user-omp"></span><h2>4.51. USER-OMP package</h2>
 <p><strong>Contents:</strong></p>
 <p>Hundreds of pair, fix, compute, bond, angle, dihedral, improper, and
 kspace styles which are altered to enable threading on many-core CPUs
@@ -2681,7 +2719,7 @@
 <hr class="docutils" />
 </div>
 <div class="section" id="user-phonon-package">
-<span id="user-phonon"></span><h2>4.51. USER-PHONON package</h2>
+<span id="user-phonon"></span><h2>4.52. USER-PHONON package</h2>
 <p><strong>Contents:</strong></p>
 <p>A <a class="reference internal" href="fix_phonon.html"><em>fix phonon</em></a> command that calculates dynamical
 matrices, which can then be used to compute phonon dispersion
@@ -2705,7 +2743,7 @@
 <hr class="docutils" />
 </div>
 <div class="section" id="user-qmmm-package">
-<span id="user-qmmm"></span><h2>4.52. USER-QMMM package</h2>
+<span id="user-qmmm"></span><h2>4.53. USER-QMMM package</h2>
 <p><strong>Contents:</strong></p>
 <p>A <a class="reference internal" href="fix_qmmm.html"><em>fix qmmm</em></a> command which allows LAMMPS to be used in a
 QM/MM simulation, currently only in combination with the <a class="reference external" href="http://www.quantum-espresso.org">Quantum ESPRESSO</a> package.</p>
@@ -2764,7 +2802,7 @@
 <hr class="docutils" />
 </div>
 <div class="section" id="user-qtb-package">
-<span id="user-qtb"></span><h2>4.53. USER-QTB package</h2>
+<span id="user-qtb"></span><h2>4.54. USER-QTB package</h2>
 <p><strong>Contents:</strong></p>
 <p>Two fixes which provide a self-consistent quantum treatment of
 vibrational modes in a classical molecular dynamics simulation.  By
@@ -2794,7 +2832,7 @@
 <hr class="docutils" />
 </div>
 <div class="section" id="user-quip-package">
-<span id="user-quip"></span><h2>4.54. USER-QUIP package</h2>
+<span id="user-quip"></span><h2>4.55. USER-QUIP package</h2>
 <p><strong>Contents:</strong></p>
 <p>A <a class="reference internal" href="pair_quip.html"><em>pair_style quip</em></a> command which wraps the <a class="reference external" href="https://github.com/libAtoms/QUIP">QUIP libAtoms library</a>, which includes a variety of interatomic
 potentials, including Gaussian Approximation Potential (GAP) models
@@ -2831,7 +2869,7 @@
 <hr class="docutils" />
 </div>
 <div class="section" id="user-reaxc-package">
-<span id="user-reaxc"></span><h2>4.55. USER-REAXC package</h2>
+<span id="user-reaxc"></span><h2>4.56. USER-REAXC package</h2>
 <p><strong>Contents:</strong></p>
 <p>A pair style which implements the ReaxFF potential in C/C++ (in
 contrast to the <a class="reference internal" href="#reax"><span>REAX package</span></a> and its Fortran library).  ReaxFF
@@ -2859,7 +2897,7 @@
 <hr class="docutils" />
 </div>
 <div class="section" id="user-smd-package">
-<span id="user-smd"></span><h2>4.56. USER-SMD package</h2>
+<span id="user-smd"></span><h2>4.57. USER-SMD package</h2>
 <p><strong>Contents:</strong></p>
 <p>An atom style, fixes, computes, and several pair styles which
 implements smoothed Mach dynamics (SMD) for solids, which is a model
@@ -2912,7 +2950,7 @@
 <hr class="docutils" />
 </div>
 <div class="section" id="user-smtbq-package">
-<span id="user-smtbq"></span><h2>4.57. USER-SMTBQ package</h2>
+<span id="user-smtbq"></span><h2>4.58. USER-SMTBQ package</h2>
 <p><strong>Contents:</strong></p>
 <p>A pair style which implements a Second Moment Tight Binding model with
 QEq charge equilibration (SMTBQ) potential for the description of
@@ -2937,7 +2975,7 @@
 <hr class="docutils" />
 </div>
 <div class="section" id="user-sph-package">
-<span id="user-sph"></span><h2>4.58. USER-SPH package</h2>
+<span id="user-sph"></span><h2>4.59. USER-SPH package</h2>
 <p><strong>Contents:</strong></p>
 <p>An atom style, fixes, computes, and several pair styles which
 implements smoothed particle hydrodynamics (SPH) for liquids.  See the
@@ -2972,7 +3010,7 @@
 <hr class="docutils" />
 </div>
 <div class="section" id="user-tally-package">
-<span id="user-tally"></span><h2>4.59. USER-TALLY package</h2>
+<span id="user-tally"></span><h2>4.60. USER-TALLY package</h2>
 <p><strong>Contents:</strong></p>
 <p>Several compute styles that can be called when pairwise interactions
 are calculated to tally information (forces, heat flux, energy,
@@ -2996,7 +3034,7 @@
 <hr class="docutils" />
 </div>
 <div class="section" id="user-vtk-package">
-<span id="user-vtk"></span><h2>4.60. USER-VTK package</h2>
+<span id="user-vtk"></span><h2>4.61. USER-VTK package</h2>
 <p><strong>Contents:</strong></p>
 <p>A <a class="reference internal" href="dump_vtk.html"><em>dump vtk</em></a> command which outputs
 snapshot info in the <a class="reference external" href="http://www.vtk.org">VTK format</a>, enabling visualization by
diff -Naur lammps-23Jun17/doc/html/Section_perf.html lammps-6Jul17/doc/html/Section_perf.html
--- lammps-23Jun17/doc/html/Section_perf.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/Section_perf.html	2017-07-06 13:00:41.523377963 -0600
@@ -121,7 +121,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/Section_python.html lammps-6Jul17/doc/html/Section_python.html
--- lammps-23Jun17/doc/html/Section_python.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/Section_python.html	2017-07-06 13:00:41.554378887 -0600
@@ -137,7 +137,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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diff -Naur lammps-23Jun17/doc/html/Section_start.html lammps-6Jul17/doc/html/Section_start.html
--- lammps-23Jun17/doc/html/Section_start.html	2017-06-23 17:49:38.000000000 -0600
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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diff -Naur lammps-23Jun17/doc/html/Section_tools.html lammps-6Jul17/doc/html/Section_tools.html
--- lammps-23Jun17/doc/html/Section_tools.html	2017-06-23 17:49:38.000000000 -0600
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@@ -152,7 +152,7 @@
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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diff -Naur lammps-23Jun17/doc/html/accelerate_gpu.html lammps-6Jul17/doc/html/accelerate_gpu.html
--- lammps-23Jun17/doc/html/accelerate_gpu.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/accelerate_gpu.html	2017-07-06 13:00:41.533378262 -0600
@@ -138,7 +138,7 @@
       <div class="wy-nav-content">
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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diff -Naur lammps-23Jun17/doc/html/accelerate_intel.html lammps-6Jul17/doc/html/accelerate_intel.html
--- lammps-23Jun17/doc/html/accelerate_intel.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/accelerate_intel.html	2017-07-06 13:00:41.573379455 -0600
@@ -138,7 +138,7 @@
       <div class="wy-nav-content">
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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@@ -254,6 +254,8 @@
 <li>For some of the simple 2-body potentials without long-range
 electrostatics, performance and scalability can be better with
 the &#8220;newton off&#8221; setting added to the input script</li>
+<li>For simulations on higher node counts, add &#8220;processors * * * grid
+numa&#8221; to the beginning of the input script for better scalability</li>
 <li>If using <em>kspace_style pppm</em> in the input script, add
 &#8220;kspace_modify diff ad&#8221; for better performance</li>
 </ul>
@@ -521,6 +523,11 @@
 set differently for the different packages. Note that the <a class="reference internal" href="suffix.html"><em>suffix hybrid intel omp</em></a> command can also be used within the
 input script to automatically append the &#8220;omp&#8221; suffix to styles when
 USER-INTEL styles are not available.</p>
+<div class="admonition note">
+<p class="first admonition-title">Note</p>
+<p class="last">For simulations on higher node counts, add <a class="reference external" href="processors.html&quot;">processors * * *  grid numa</a> to the beginning of the input script for
+better scalability.</p>
+</div>
 <p>When running on many nodes, performance might be better when using
 fewer OpenMP threads and more MPI tasks. This will depend on the
 simulation and the machine. Using the <a class="reference internal" href="run_style.html"><em>verlet/split</em></a>
diff -Naur lammps-23Jun17/doc/html/accelerate_kokkos.html lammps-6Jul17/doc/html/accelerate_kokkos.html
--- lammps-23Jun17/doc/html/accelerate_kokkos.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/accelerate_kokkos.html	2017-07-06 13:00:41.532378233 -0600
@@ -138,7 +138,7 @@
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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diff -Naur lammps-23Jun17/doc/html/accelerate_omp.html lammps-6Jul17/doc/html/accelerate_omp.html
--- lammps-23Jun17/doc/html/accelerate_omp.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/accelerate_omp.html	2017-07-06 13:00:41.552378828 -0600
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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diff -Naur lammps-23Jun17/doc/html/accelerate_opt.html lammps-6Jul17/doc/html/accelerate_opt.html
--- lammps-23Jun17/doc/html/accelerate_opt.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/accelerate_opt.html	2017-07-06 13:00:41.572379425 -0600
@@ -138,7 +138,7 @@
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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diff -Naur lammps-23Jun17/doc/html/angle_charmm.html lammps-6Jul17/doc/html/angle_charmm.html
--- lammps-23Jun17/doc/html/angle_charmm.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/angle_charmm.html	2017-07-06 13:00:41.571379395 -0600
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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diff -Naur lammps-23Jun17/doc/html/angle_class2.html lammps-6Jul17/doc/html/angle_class2.html
--- lammps-23Jun17/doc/html/angle_class2.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/angle_class2.html	2017-07-06 13:00:41.536378351 -0600
@@ -168,7 +168,7 @@
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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diff -Naur lammps-23Jun17/doc/html/angle_coeff.html lammps-6Jul17/doc/html/angle_coeff.html
--- lammps-23Jun17/doc/html/angle_coeff.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/angle_coeff.html	2017-07-06 13:00:41.553378857 -0600
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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diff -Naur lammps-23Jun17/doc/html/angle_cosine.html lammps-6Jul17/doc/html/angle_cosine.html
--- lammps-23Jun17/doc/html/angle_cosine.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/angle_cosine.html	2017-07-06 13:00:41.516377755 -0600
@@ -168,7 +168,7 @@
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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diff -Naur lammps-23Jun17/doc/html/angle_cosine_delta.html lammps-6Jul17/doc/html/angle_cosine_delta.html
--- lammps-23Jun17/doc/html/angle_cosine_delta.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/angle_cosine_delta.html	2017-07-06 13:00:41.571379395 -0600
@@ -168,7 +168,7 @@
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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diff -Naur lammps-23Jun17/doc/html/angle_cosine_periodic.html lammps-6Jul17/doc/html/angle_cosine_periodic.html
--- lammps-23Jun17/doc/html/angle_cosine_periodic.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/angle_cosine_periodic.html	2017-07-06 13:00:41.524377993 -0600
@@ -168,7 +168,7 @@
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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diff -Naur lammps-23Jun17/doc/html/angle_cosine_shift.html lammps-6Jul17/doc/html/angle_cosine_shift.html
--- lammps-23Jun17/doc/html/angle_cosine_shift.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/angle_cosine_shift.html	2017-07-06 13:00:41.530378173 -0600
@@ -168,7 +168,7 @@
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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diff -Naur lammps-23Jun17/doc/html/angle_cosine_shift_exp.html lammps-6Jul17/doc/html/angle_cosine_shift_exp.html
--- lammps-23Jun17/doc/html/angle_cosine_shift_exp.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/angle_cosine_shift_exp.html	2017-07-06 13:00:41.550378769 -0600
@@ -168,7 +168,7 @@
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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diff -Naur lammps-23Jun17/doc/html/angle_cosine_squared.html lammps-6Jul17/doc/html/angle_cosine_squared.html
--- lammps-23Jun17/doc/html/angle_cosine_squared.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/angle_cosine_squared.html	2017-07-06 13:00:41.527378083 -0600
@@ -168,7 +168,7 @@
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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diff -Naur lammps-23Jun17/doc/html/angle_dipole.html lammps-6Jul17/doc/html/angle_dipole.html
--- lammps-23Jun17/doc/html/angle_dipole.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/angle_dipole.html	2017-07-06 13:00:41.526378053 -0600
@@ -168,7 +168,7 @@
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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diff -Naur lammps-23Jun17/doc/html/angle_fourier.html lammps-6Jul17/doc/html/angle_fourier.html
--- lammps-23Jun17/doc/html/angle_fourier.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/angle_fourier.html	2017-07-06 13:00:41.525378023 -0600
@@ -168,7 +168,7 @@
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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diff -Naur lammps-23Jun17/doc/html/angle_fourier_simple.html lammps-6Jul17/doc/html/angle_fourier_simple.html
--- lammps-23Jun17/doc/html/angle_fourier_simple.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/angle_fourier_simple.html	2017-07-06 13:00:41.536378351 -0600
@@ -168,7 +168,7 @@
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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diff -Naur lammps-23Jun17/doc/html/angle_harmonic.html lammps-6Jul17/doc/html/angle_harmonic.html
--- lammps-23Jun17/doc/html/angle_harmonic.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/angle_harmonic.html	2017-07-06 13:00:41.556378947 -0600
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+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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diff -Naur lammps-23Jun17/doc/html/angle_hybrid.html lammps-6Jul17/doc/html/angle_hybrid.html
--- lammps-23Jun17/doc/html/angle_hybrid.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/angle_hybrid.html	2017-07-06 13:00:41.556378947 -0600
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+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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diff -Naur lammps-23Jun17/doc/html/angle_none.html lammps-6Jul17/doc/html/angle_none.html
--- lammps-23Jun17/doc/html/angle_none.html	2017-06-23 17:49:38.000000000 -0600
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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diff -Naur lammps-23Jun17/doc/html/angle_quartic.html lammps-6Jul17/doc/html/angle_quartic.html
--- lammps-23Jun17/doc/html/angle_quartic.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/angle_quartic.html	2017-07-06 13:00:41.523377963 -0600
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+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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diff -Naur lammps-23Jun17/doc/html/angle_sdk.html lammps-6Jul17/doc/html/angle_sdk.html
--- lammps-23Jun17/doc/html/angle_sdk.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/angle_sdk.html	2017-07-06 13:00:41.558379007 -0600
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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diff -Naur lammps-23Jun17/doc/html/angle_style.html lammps-6Jul17/doc/html/angle_style.html
--- lammps-23Jun17/doc/html/angle_style.html	2017-06-23 17:49:38.000000000 -0600
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--- lammps-23Jun17/doc/html/change_box.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/comm_style.html lammps-6Jul17/doc/html/comm_style.html
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diff -Naur lammps-23Jun17/doc/html/commands.html lammps-6Jul17/doc/html/commands.html
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diff -Naur lammps-23Jun17/doc/html/compute.html lammps-6Jul17/doc/html/compute.html
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--- lammps-23Jun17/doc/html/compute_ackland_atom.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/compute_angle.html lammps-6Jul17/doc/html/compute_angle.html
--- lammps-23Jun17/doc/html/compute_angle.html	2017-06-23 17:49:38.000000000 -0600
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--- lammps-23Jun17/doc/html/compute_angle_local.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/compute_angmom_chunk.html lammps-6Jul17/doc/html/compute_angmom_chunk.html
--- lammps-23Jun17/doc/html/compute_angmom_chunk.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/compute_basal_atom.html lammps-6Jul17/doc/html/compute_basal_atom.html
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--- lammps-23Jun17/doc/html/compute_body_local.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/compute_bond.html lammps-6Jul17/doc/html/compute_bond.html
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--- lammps-23Jun17/doc/html/compute_bond_local.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/compute_centro_atom.html lammps-6Jul17/doc/html/compute_centro_atom.html
--- lammps-23Jun17/doc/html/compute_centro_atom.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/compute_chunk_atom.html lammps-6Jul17/doc/html/compute_chunk_atom.html
--- lammps-23Jun17/doc/html/compute_chunk_atom.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/compute_cluster_atom.html lammps-6Jul17/doc/html/compute_cluster_atom.html
--- lammps-23Jun17/doc/html/compute_cluster_atom.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/compute_cna_atom.html lammps-6Jul17/doc/html/compute_cna_atom.html
--- lammps-23Jun17/doc/html/compute_cna_atom.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/compute_cnp_atom.html lammps-6Jul17/doc/html/compute_cnp_atom.html
--- lammps-23Jun17/doc/html/compute_cnp_atom.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/compute_com.html lammps-6Jul17/doc/html/compute_com.html
--- lammps-23Jun17/doc/html/compute_com.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/compute_com_chunk.html lammps-6Jul17/doc/html/compute_com_chunk.html
--- lammps-23Jun17/doc/html/compute_com_chunk.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/compute_contact_atom.html lammps-6Jul17/doc/html/compute_contact_atom.html
--- lammps-23Jun17/doc/html/compute_contact_atom.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/compute_coord_atom.html lammps-6Jul17/doc/html/compute_coord_atom.html
--- lammps-23Jun17/doc/html/compute_coord_atom.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/compute_damage_atom.html lammps-6Jul17/doc/html/compute_damage_atom.html
--- lammps-23Jun17/doc/html/compute_damage_atom.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/compute_dihedral.html lammps-6Jul17/doc/html/compute_dihedral.html
--- lammps-23Jun17/doc/html/compute_dihedral.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/compute_dihedral_local.html lammps-6Jul17/doc/html/compute_dihedral_local.html
--- lammps-23Jun17/doc/html/compute_dihedral_local.html	2017-06-23 17:49:38.000000000 -0600
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+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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diff -Naur lammps-23Jun17/doc/html/compute_dilatation_atom.html lammps-6Jul17/doc/html/compute_dilatation_atom.html
--- lammps-23Jun17/doc/html/compute_dilatation_atom.html	2017-06-23 17:49:38.000000000 -0600
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--- lammps-23Jun17/doc/html/compute_inertia_chunk.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/compute_ke.html lammps-6Jul17/doc/html/compute_ke.html
--- lammps-23Jun17/doc/html/compute_ke.html	2017-06-23 17:49:38.000000000 -0600
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--- lammps-23Jun17/doc/html/compute_ke_atom_eff.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/compute_ke_rigid.html lammps-6Jul17/doc/html/compute_ke_rigid.html
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diff -Naur lammps-23Jun17/doc/html/compute_meso_e_atom.html lammps-6Jul17/doc/html/compute_meso_e_atom.html
--- lammps-23Jun17/doc/html/compute_meso_e_atom.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/compute_meso_rho_atom.html lammps-6Jul17/doc/html/compute_meso_rho_atom.html
--- lammps-23Jun17/doc/html/compute_meso_rho_atom.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/compute_slice.html lammps-6Jul17/doc/html/compute_slice.html
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diff -Naur lammps-23Jun17/doc/html/compute_smd_contact_radius.html lammps-6Jul17/doc/html/compute_smd_contact_radius.html
--- lammps-23Jun17/doc/html/compute_smd_contact_radius.html	2017-06-23 17:49:38.000000000 -0600
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--- lammps-23Jun17/doc/html/compute_smd_damage.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/compute_smd_internal_energy.html lammps-6Jul17/doc/html/compute_smd_internal_energy.html
--- lammps-23Jun17/doc/html/compute_smd_internal_energy.html	2017-06-23 17:49:38.000000000 -0600
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--- lammps-23Jun17/doc/html/compute_smd_plastic_strain.html	2017-06-23 17:49:38.000000000 -0600
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+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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--- lammps-23Jun17/doc/html/compute_tally.html	2017-06-23 17:49:38.000000000 -0600
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--- lammps-23Jun17/doc/html/compute_temp.html	2017-06-23 17:49:38.000000000 -0600
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--- lammps-23Jun17/doc/html/compute_temp_asphere.html	2017-06-23 17:49:38.000000000 -0600
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--- lammps-23Jun17/doc/html/compute_temp_body.html	2017-06-23 17:49:38.000000000 -0600
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--- lammps-23Jun17/doc/html/compute_temp_chunk.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/compute_temp_com.html lammps-6Jul17/doc/html/compute_temp_com.html
--- lammps-23Jun17/doc/html/compute_temp_com.html	2017-06-23 17:49:38.000000000 -0600
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--- lammps-23Jun17/doc/html/compute_temp_cs.html	2017-06-23 17:49:38.000000000 -0600
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--- lammps-23Jun17/doc/html/compute_temp_deform.html	2017-06-23 17:49:38.000000000 -0600
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--- lammps-23Jun17/doc/html/compute_temp_deform_eff.html	2017-06-23 17:49:38.000000000 -0600
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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diff -Naur lammps-23Jun17/doc/html/compute_temp_sphere.html lammps-6Jul17/doc/html/compute_temp_sphere.html
--- lammps-23Jun17/doc/html/compute_temp_sphere.html	2017-06-23 17:49:38.000000000 -0600
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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diff -Naur lammps-23Jun17/doc/html/compute_ti.html lammps-6Jul17/doc/html/compute_ti.html
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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--- lammps-23Jun17/doc/html/compute_vacf.html	2017-06-23 17:49:38.000000000 -0600
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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diff -Naur lammps-23Jun17/doc/html/compute_voronoi_atom.html lammps-6Jul17/doc/html/compute_voronoi_atom.html
--- lammps-23Jun17/doc/html/compute_voronoi_atom.html	2017-06-23 17:49:38.000000000 -0600
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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diff -Naur lammps-23Jun17/doc/html/computes.html lammps-6Jul17/doc/html/computes.html
--- lammps-23Jun17/doc/html/computes.html	2017-06-23 17:49:38.000000000 -0600
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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--- lammps-23Jun17/doc/html/create_atoms.html	2017-06-23 17:49:38.000000000 -0600
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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@@ -117,6 +117,7 @@
 <li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
 <li class="toctree-l3"><a class="reference internal" href="#restrictions">Restrictions</a></li>
 <li class="toctree-l3"><a class="reference internal" href="#related-commands">Related commands</a></li>
+<li class="toctree-l3"><a class="reference internal" href="#default">Default</a></li>
 </ul>
 </li>
 <li class="toctree-l2"><a class="reference internal" href="create_box.html">create_box command</a></li>
@@ -242,7 +243,7 @@
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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@@ -276,54 +277,97 @@
 <span id="index-0"></span><h1>create_bonds command</h1>
 <div class="section" id="syntax">
 <h2>Syntax</h2>
-<div class="highlight-python"><div class="highlight"><pre>create_bonds group-ID group2-ID btype rmin rmax
+<div class="highlight-python"><div class="highlight"><pre>create_bonds style args ... keyword value ...
 </pre></div>
 </div>
 <ul class="simple">
-<li>group-ID = ID of first group</li>
-<li>group2-ID = ID of second group, bonds will be between atoms in the 2 groups</li>
-<li>btype = bond type of created bonds</li>
-<li>rmin = minimum distance between pair of atoms to bond together</li>
-<li>rmax = minimum distance between pair of atoms to bond together</li>
+<li>style = <em>many</em> or <em>single/bond</em> or <em>single/angle</em> or <em>single/dihedral</em></li>
 </ul>
+<pre class="literal-block">
+<em>many</em> args = group-ID group2-ID btype rmin rmax
+  group-ID = ID of first group
+  group2-ID = ID of second group, bonds will be between atoms in the 2 groups
+  btype = bond type of created bonds
+  rmin = minimum distance between pair of atoms to bond together
+  rmax = minimum distance between pair of atoms to bond together
+<em>single/bond</em> args = btype batom1 batom2
+  btype = bond type of new bond
+  batom1,batom2 = atom IDs for two atoms in bond
+<em>single/angle</em> args = atype aatom1 aatom2 aatom3
+  atype = bond type of new angle
+  aatom1,aatom2,aatom3 = atom IDs for three atoms in angle
+<em>single/dihedral</em> args = dtype datom1 datom2 datom3 datom4
+  dtype = bond type of new dihedral
+  datom1,datom2,datom3,datom4 = atom IDs for four atoms in dihedral
+</pre>
+<ul class="simple">
+<li>zero or more keyword/value pairs may be appended</li>
+<li>keyword = <em>special</em></li>
+</ul>
+<pre class="literal-block">
+<em>special</em> value = <em>yes</em> or <em>no</em>
+</pre>
 </div>
 <div class="section" id="examples">
 <h2>Examples</h2>
-<div class="highlight-python"><div class="highlight"><pre>create_bonds all all 1 1.0 1.2
-create_bonds surf solvent 3 2.0 2.4
+<div class="highlight-python"><div class="highlight"><pre>create_bonds many all all 1 1.0 1.2
+create_bonds many surf solvent 3 2.0 2.4
+create_bond single/bond 1 1 2
+create_bond single/angle 5 52 98 107 special no
 </pre></div>
 </div>
 </div>
 <div class="section" id="description">
 <h2>Description</h2>
-<p>Create bonds between pairs of atoms that meet specified distance
-criteria.  The bond interactions can then be computed during a
-simulation by the bond potential defined by the
-<a class="reference internal" href="bond_style.html"><em>bond_style</em></a> and <a class="reference internal" href="bond_coeff.html"><em>bond_coeff</em></a>
-commands.  This command is useful for adding bonds to a system,
-e.g. between nearest neighbors in a lattice of atoms, without having
-to enumerate all the bonds in the data file read by the
-<a class="reference internal" href="read_data.html"><em>read_data</em></a> command.</p>
-<p>Note that the flexibility of this command is limited.  It can be used
-several times to create different types of bond at different
-distances.  But it cannot typically create all the bonds that would
-normally be defined in a complex system of molecules.  Also note that
-this command does not add any 3-body or 4-body interactions which,
-depending on your model, may be induced by added bonds,
-e.g. <a class="reference internal" href="angle_style.html"><em>angle</em></a>, <a class="reference internal" href="dihedral_style.html"><em>dihedral</em></a>, or
-<a class="reference internal" href="improper_style.html"><em>improper</em></a> interactions.</p>
-<p>All created bonds will be between pairs of atoms I,J where I is in one
-of the two specified groups, and J is in the other.  The two groups
-can be the same, e.g. group &#8220;all&#8221;.  The created bonds will be of bond
-type <em>btype</em>, where <em>btype</em> must be a value between 1 and the number
-of bond types defined.  This maximum value is set by the &#8220;bond types&#8221;
-field in the header of the data file read by the
-<a class="reference internal" href="read_data.html"><em>read_data</em></a> command, or via the optional &#8220;bond/types&#8221;
-argument of the <a class="reference internal" href="create_box.html"><em>create_box</em></a> command.</p>
+<p>Create bonds between pairs of atoms that meet a specified distance
+criteria.  Or create a single bond, angle, or dihedral between 2, 3,
+or 4 specified atoms.</p>
+<p>The new bond (angle, dihedral) interactions will then be computed
+during a simulation by the bond (angle, dihedral) potential defined by
+the <a class="reference internal" href="bond_style.html"><em>bond_style</em></a>, <a class="reference internal" href="bond_coeff.html"><em>bond_coeff</em></a>,
+<a class="reference internal" href="angle_style.html"><em>angle_style</em></a>, <a class="reference internal" href="angle_coeff.html"><em>angle_coeff</em></a>,
+<a class="reference internal" href="dihedral_style.html"><em>dihedral_style</em></a>,
+<a class="reference internal" href="dihedral_coeff.html"><em>dihedral_coeff</em></a> commands.</p>
+<p>The <em>many</em> style is useful for adding bonds to a system, e.g. between
+nearest neighbors in a lattice of atoms, without having to enumerate
+all the bonds in the data file read by the <a class="reference internal" href="read_data.html"><em>read_data</em></a>
+command.</p>
+<p>The <em>single</em> styles are useful for adding bonds, angles, dihedrals
+to a system incrementally, then continuing a simulation.</p>
+<p>Note that this command does not auto-create any angle or dihedral
+interactions when a bond is added.  Nor does it auto-create any bonds
+when an angle or dihedral is added.  Or auto-create any angles when a
+dihedral is added.  Thus the flexibility of this command is limited.
+It can be used several times to create different types of bond at
+different distances.  But it cannot typically auto-create all the
+bonds or angles or dihedral that would normally be defined in a data
+file for a complex system of molecules.</p>
+<div class="admonition note">
+<p class="first admonition-title">Note</p>
+<p class="last">If the system has no bonds (angles, dihedrals) to begin with, or
+if more bonds per atom are being added than currently exist, then you
+must insure that the number of bond types and the maximum number of
+bonds per atom are set to large enough values.  And similarly for
+angles and dihedrals.  Otherwise an error may occur when too many
+bonds (angles, dihedrals) are added to an atom.  If the
+<a class="reference internal" href="read_data.html"><em>read_data</em></a> command is used to define the system, these
+parameters can be set via the &#8220;bond types&#8221; and &#8220;extra bond per atom&#8221;
+fields in the header section of the data file.  If the
+<a class="reference internal" href="create_box.html"><em>create_box</em></a> command is used to define the system,
+these 2 parameters can be set via its optional &#8220;bond/types&#8221; and
+&#8220;extra/bond/per/atom&#8221; arguments.  And similarly for angles and
+dihedrals.  See the doc pages for these 2 commands for details.</p>
+</div>
+<hr class="docutils" />
+<p>The <em>many</em> style will create bonds between pairs of atoms I,J where I
+is in one of the two specified groups, and J is in the other.  The two
+groups can be the same, e.g. group &#8220;all&#8221;.  The created bonds will be
+of bond type <em>btype</em>, where <em>btype</em> must be a value between 1 and the
+number of bond types defined.</p>
 <p>For a bond to be created, an I,J pair of atoms must be a distance D
 apart such that <em>rmin</em> &lt;= D &lt;= <em>rmax</em>.</p>
-<p>The following settings must have been made in an input
-script before this command is used:</p>
+<p>The following settings must have been made in an input script before
+this style is used:</p>
 <ul class="simple">
 <li>special_bonds weight for 1-2 interactions must be 0.0</li>
 <li>a <a class="reference internal" href="pair_style.html"><em>pair_style</em></a> must be defined</li>
@@ -335,8 +379,8 @@
 cannot appear in the neighbor list, to avoid creation of duplicate
 bonds.  The neighbor list for all atom type pairs must also extend to
 a distance that encompasses the <em>rmax</em> for new bonds to create.</p>
-<p>An additional requirement is that your system must be ready to perform
-a simulation.  This means, for example, that all
+<p>An additional requirement for this style is that your system must be
+ready to perform a simulation.  This means, for example, that all
 <a class="reference internal" href="pair_style.html"><em>pair_style</em></a> coefficients be set via the
 <a class="reference internal" href="pair_coeff.html"><em>pair_coeff</em></a> command.  A <a class="reference internal" href="bond_style.html"><em>bond_style</em></a>
 command and all bond coefficients must also be set, even if no bonds
@@ -347,21 +391,50 @@
 executes, e.g. if you wish to use long-range Coulombic interactions
 via the <a class="reference internal" href="kspace_style.html"><em>kspace_style</em></a> command for your subsequent
 simulation.</p>
-<div class="admonition note">
-<p class="first admonition-title">Note</p>
-<p class="last">If the system has no bonds to begin with, or if more bonds per
-atom are being added than currently exist, then you must insure that
-the number of bond types and the maximum number of bonds per atom are
-set to large enough values.  Otherwise an error may occur when too
-many bonds are added to an atom.  If the <a class="reference internal" href="read_data.html"><em>read_data</em></a>
-command is used to define the system, these 2 parameters can be set
-via the &#8220;bond types&#8221; and &#8220;extra bond per atom&#8221; fields in the header
-section of the data file.  If the <a class="reference internal" href="create_box.html"><em>create_box</em></a> command
-is used to define the system, these 2 parameters can be set via its
-optional &#8220;bond/types&#8221; and &#8220;extra/bond/per/atom&#8221; arguments.  See the
-doc pages for the 2 commands for details.</p>
+<hr class="docutils" />
+<p>The <em>single/bond</em> style creates a single bond of type <em>btype</em> between
+two atoms with IDs <em>batom1</em> and <em>batom2</em>.  <em>Btype</em> must be a value
+between 1 and the number of bond types defined.</p>
+<p>The <em>single/angle</em> style creates a single angle of type <em>atype</em>
+between three atoms with IDs <em>aatom1</em>, <em>aatom2</em>, and <em>aatom3</em>.  The
+ordering of the atoms is the same as in the <em>Angles</em> section of a data
+file read by the <a class="reference external" href="read_data">read_data</a> command.  I.e. the 3 atoms are
+ordered linearly within the angle; the central atom is <em>aatom2</em>.
+<em>Atype</em> must be a value between 1 and the number of angle types
+defined.</p>
+<p>The <em>single/dihedral</em> style creates a single dihedral of type <em>btype</em>
+between two atoms with IDs <em>batom1</em> and <em>batom2</em>.  The ordering of the
+atoms is the same as in the <em>Dihedrals</em> section of a data file read by
+the <a class="reference external" href="read_data">read_data</a> command.  I.e. the 4 atoms are ordered
+linearly within the dihedral.  <em>Dtype</em> must be a value between 1 and
+the number of dihedral types defined.</p>
+<hr class="docutils" />
+<p>The keyword <em>special</em> controls whether an internal list of special
+bonds is created after one or more bonds, or a single angle or
+dihedral is added to the system.</p>
+<p>The default value is <em>yes</em>.  A value of <em>no</em> cannot be used
+with the <em>many</em> style.</p>
+<p>This is an expensive operation since the bond topology for the system
+must be walked to find all 1-2, 1-3, 1-4 interactions to store in an
+internal list, which is used when pairwise interactions are weighted;
+see the <a class="reference internal" href="special_bonds.html"><em>special_bonds</em></a> command for details.</p>
+<p>Thus if you are adding a few bonds or a large list of angles all at
+the same time, by using this command repeatedly, it is more efficient
+to only trigger the internal list to be created once, after the last
+bond (or angle, or dihedral) is added:</p>
+<div class="highlight-python"><div class="highlight"><pre>create_bonds single/bond 5 52 98 special no
+create_bonds single/bond  5 73 74 special no
+...
+create_bonds single/bond 5 17 386 special no
+create_bonds single/bond 4 112 183 special yes
+</pre></div>
 </div>
+<p>Note that you MUST insure the internal list is re-built after the last
+bond (angle, dihedral) is added, before performing a simulation.
+Otherwise pairwise interactions will not be properly excluded or
+weighted.  LAMMPS does NOT check that you have done this correctly.</p>
 </div>
+<hr class="docutils" />
 <div class="section" id="restrictions">
 <h2>Restrictions</h2>
 <p>This command cannot be used with molecular systems defined using
@@ -371,7 +444,10 @@
 <div class="section" id="related-commands">
 <h2>Related commands</h2>
 <p><a class="reference internal" href="create_atoms.html"><em>create_atoms</em></a>, <a class="reference internal" href="delete_bonds.html"><em>delete_bonds</em></a></p>
-<p><strong>Default:</strong> none</p>
+</div>
+<div class="section" id="default">
+<h2>Default</h2>
+<p>The keyword default is special = yes.</p>
 </div>
 </div>
 
diff -Naur lammps-23Jun17/doc/html/create_box.html lammps-6Jul17/doc/html/create_box.html
--- lammps-23Jun17/doc/html/create_box.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/create_box.html	2017-07-06 13:00:41.529378143 -0600
@@ -242,7 +242,7 @@
       <div class="wy-nav-content">
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
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diff -Naur lammps-23Jun17/doc/html/delete_atoms.html lammps-6Jul17/doc/html/delete_atoms.html
--- lammps-23Jun17/doc/html/delete_atoms.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/delete_atoms.html	2017-07-06 13:00:41.556378947 -0600
@@ -243,7 +243,7 @@
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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diff -Naur lammps-23Jun17/doc/html/delete_bonds.html lammps-6Jul17/doc/html/delete_bonds.html
--- lammps-23Jun17/doc/html/delete_bonds.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/delete_bonds.html	2017-07-06 13:00:41.550378769 -0600
@@ -242,7 +242,7 @@
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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diff -Naur lammps-23Jun17/doc/html/dielectric.html lammps-6Jul17/doc/html/dielectric.html
--- lammps-23Jun17/doc/html/dielectric.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/dielectric.html	2017-07-06 13:00:41.551378799 -0600
@@ -243,7 +243,7 @@
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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diff -Naur lammps-23Jun17/doc/html/dihedral_charmm.html lammps-6Jul17/doc/html/dihedral_charmm.html
--- lammps-23Jun17/doc/html/dihedral_charmm.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/dihedral_charmm.html	2017-07-06 13:00:41.526378053 -0600
@@ -204,7 +204,7 @@
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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diff -Naur lammps-23Jun17/doc/html/dihedral_class2.html lammps-6Jul17/doc/html/dihedral_class2.html
--- lammps-23Jun17/doc/html/dihedral_class2.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/dihedral_class2.html	2017-07-06 13:00:41.517377785 -0600
@@ -204,7 +204,7 @@
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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diff -Naur lammps-23Jun17/doc/html/dihedral_coeff.html lammps-6Jul17/doc/html/dihedral_coeff.html
--- lammps-23Jun17/doc/html/dihedral_coeff.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/dihedral_coeff.html	2017-07-06 13:00:41.573379455 -0600
@@ -242,7 +242,7 @@
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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diff -Naur lammps-23Jun17/doc/html/dihedral_cosine_shift_exp.html lammps-6Jul17/doc/html/dihedral_cosine_shift_exp.html
--- lammps-23Jun17/doc/html/dihedral_cosine_shift_exp.html	2017-06-23 17:49:38.000000000 -0600
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@@ -204,7 +204,7 @@
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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diff -Naur lammps-23Jun17/doc/html/dihedral_fourier.html lammps-6Jul17/doc/html/dihedral_fourier.html
--- lammps-23Jun17/doc/html/dihedral_fourier.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/dihedral_fourier.html	2017-07-06 13:00:41.518377815 -0600
@@ -204,7 +204,7 @@
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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diff -Naur lammps-23Jun17/doc/html/dihedral_harmonic.html lammps-6Jul17/doc/html/dihedral_harmonic.html
--- lammps-23Jun17/doc/html/dihedral_harmonic.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/dihedral_harmonic.html	2017-07-06 13:00:41.518377815 -0600
@@ -204,7 +204,7 @@
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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diff -Naur lammps-23Jun17/doc/html/dihedral_helix.html lammps-6Jul17/doc/html/dihedral_helix.html
--- lammps-23Jun17/doc/html/dihedral_helix.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/dihedral_helix.html	2017-07-06 13:00:41.518377815 -0600
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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diff -Naur lammps-23Jun17/doc/html/dihedral_hybrid.html lammps-6Jul17/doc/html/dihedral_hybrid.html
--- lammps-23Jun17/doc/html/dihedral_hybrid.html	2017-06-23 17:49:38.000000000 -0600
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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--- lammps-23Jun17/doc/html/dihedral_multi_harmonic.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/dihedral_multi_harmonic.html	2017-07-06 13:00:41.557378977 -0600
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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diff -Naur lammps-23Jun17/doc/html/dihedral_nharmonic.html lammps-6Jul17/doc/html/dihedral_nharmonic.html
--- lammps-23Jun17/doc/html/dihedral_nharmonic.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/dihedral_nharmonic.html	2017-07-06 13:00:41.553378857 -0600
@@ -204,7 +204,7 @@
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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diff -Naur lammps-23Jun17/doc/html/dihedral_none.html lammps-6Jul17/doc/html/dihedral_none.html
--- lammps-23Jun17/doc/html/dihedral_none.html	2017-06-23 17:49:38.000000000 -0600
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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diff -Naur lammps-23Jun17/doc/html/dihedral_opls.html lammps-6Jul17/doc/html/dihedral_opls.html
--- lammps-23Jun17/doc/html/dihedral_opls.html	2017-06-23 17:49:38.000000000 -0600
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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diff -Naur lammps-23Jun17/doc/html/dihedral_quadratic.html lammps-6Jul17/doc/html/dihedral_quadratic.html
--- lammps-23Jun17/doc/html/dihedral_quadratic.html	2017-06-23 17:49:38.000000000 -0600
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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diff -Naur lammps-23Jun17/doc/html/dihedral_spherical.html lammps-6Jul17/doc/html/dihedral_spherical.html
--- lammps-23Jun17/doc/html/dihedral_spherical.html	2017-06-23 17:49:38.000000000 -0600
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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diff -Naur lammps-23Jun17/doc/html/dihedral_style.html lammps-6Jul17/doc/html/dihedral_style.html
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
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--- lammps-23Jun17/doc/html/dihedral_zero.html	2017-06-23 17:49:38.000000000 -0600
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--- lammps-23Jun17/doc/html/dihedrals.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/dimension.html lammps-6Jul17/doc/html/dimension.html
--- lammps-23Jun17/doc/html/dimension.html	2017-06-23 17:49:38.000000000 -0600
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--- lammps-23Jun17/doc/html/displace_atoms.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/dump.html lammps-6Jul17/doc/html/dump.html
--- lammps-23Jun17/doc/html/dump.html	2017-06-23 17:49:38.000000000 -0600
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--- lammps-23Jun17/doc/html/dump_modify.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/dump_molfile.html lammps-6Jul17/doc/html/dump_molfile.html
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diff -Naur lammps-23Jun17/doc/html/dump_netcdf.html lammps-6Jul17/doc/html/dump_netcdf.html
--- lammps-23Jun17/doc/html/dump_netcdf.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/dump_vtk.html lammps-6Jul17/doc/html/dump_vtk.html
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diff -Naur lammps-23Jun17/doc/html/echo.html lammps-6Jul17/doc/html/echo.html
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diff -Naur lammps-23Jun17/doc/html/fix.html lammps-6Jul17/doc/html/fix.html
--- lammps-23Jun17/doc/html/fix.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_adapt.html lammps-6Jul17/doc/html/fix_adapt.html
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diff -Naur lammps-23Jun17/doc/html/fix_adapt_fep.html lammps-6Jul17/doc/html/fix_adapt_fep.html
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diff -Naur lammps-23Jun17/doc/html/fix_addforce.html lammps-6Jul17/doc/html/fix_addforce.html
--- lammps-23Jun17/doc/html/fix_addforce.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_addtorque.html lammps-6Jul17/doc/html/fix_addtorque.html
--- lammps-23Jun17/doc/html/fix_addtorque.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_append_atoms.html lammps-6Jul17/doc/html/fix_append_atoms.html
--- lammps-23Jun17/doc/html/fix_append_atoms.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_atc.html lammps-6Jul17/doc/html/fix_atc.html
--- lammps-23Jun17/doc/html/fix_atc.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_atom_swap.html lammps-6Jul17/doc/html/fix_atom_swap.html
--- lammps-23Jun17/doc/html/fix_atom_swap.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_ave_atom.html lammps-6Jul17/doc/html/fix_ave_atom.html
--- lammps-23Jun17/doc/html/fix_ave_atom.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_ave_chunk.html lammps-6Jul17/doc/html/fix_ave_chunk.html
--- lammps-23Jun17/doc/html/fix_ave_chunk.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_ave_correlate.html lammps-6Jul17/doc/html/fix_ave_correlate.html
--- lammps-23Jun17/doc/html/fix_ave_correlate.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_ave_correlate_long.html lammps-6Jul17/doc/html/fix_ave_correlate_long.html
--- lammps-23Jun17/doc/html/fix_ave_correlate_long.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_ave_histo.html lammps-6Jul17/doc/html/fix_ave_histo.html
--- lammps-23Jun17/doc/html/fix_ave_histo.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_ave_time.html lammps-6Jul17/doc/html/fix_ave_time.html
--- lammps-23Jun17/doc/html/fix_ave_time.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_aveforce.html lammps-6Jul17/doc/html/fix_aveforce.html
--- lammps-23Jun17/doc/html/fix_aveforce.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_balance.html lammps-6Jul17/doc/html/fix_balance.html
--- lammps-23Jun17/doc/html/fix_balance.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_bond_break.html lammps-6Jul17/doc/html/fix_bond_break.html
--- lammps-23Jun17/doc/html/fix_bond_break.html	2017-06-23 17:49:38.000000000 -0600
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+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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diff -Naur lammps-23Jun17/doc/html/fix_bond_create.html lammps-6Jul17/doc/html/fix_bond_create.html
--- lammps-23Jun17/doc/html/fix_bond_create.html	2017-06-23 17:49:38.000000000 -0600
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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diff -Naur lammps-23Jun17/doc/html/fix_bond_swap.html lammps-6Jul17/doc/html/fix_bond_swap.html
--- lammps-23Jun17/doc/html/fix_bond_swap.html	2017-06-23 17:49:38.000000000 -0600
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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diff -Naur lammps-23Jun17/doc/html/fix_box_relax.html lammps-6Jul17/doc/html/fix_box_relax.html
--- lammps-23Jun17/doc/html/fix_box_relax.html	2017-06-23 17:49:38.000000000 -0600
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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diff -Naur lammps-23Jun17/doc/html/fix_cmap.html lammps-6Jul17/doc/html/fix_cmap.html
--- lammps-23Jun17/doc/html/fix_cmap.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_colvars.html lammps-6Jul17/doc/html/fix_colvars.html
--- lammps-23Jun17/doc/html/fix_colvars.html	2017-06-23 17:49:38.000000000 -0600
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
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diff -Naur lammps-23Jun17/doc/html/fix_controller.html lammps-6Jul17/doc/html/fix_controller.html
--- lammps-23Jun17/doc/html/fix_controller.html	2017-06-23 17:49:38.000000000 -0600
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
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diff -Naur lammps-23Jun17/doc/html/fix_deform.html lammps-6Jul17/doc/html/fix_deform.html
--- lammps-23Jun17/doc/html/fix_deform.html	2017-06-23 17:49:38.000000000 -0600
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
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diff -Naur lammps-23Jun17/doc/html/fix_deposit.html lammps-6Jul17/doc/html/fix_deposit.html
--- lammps-23Jun17/doc/html/fix_deposit.html	2017-06-23 17:49:38.000000000 -0600
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
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diff -Naur lammps-23Jun17/doc/html/fix_dpd_energy.html lammps-6Jul17/doc/html/fix_dpd_energy.html
--- lammps-23Jun17/doc/html/fix_dpd_energy.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_drag.html lammps-6Jul17/doc/html/fix_drag.html
--- lammps-23Jun17/doc/html/fix_drag.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_drude.html lammps-6Jul17/doc/html/fix_drude.html
--- lammps-23Jun17/doc/html/fix_drude.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_drude_transform.html lammps-6Jul17/doc/html/fix_drude_transform.html
--- lammps-23Jun17/doc/html/fix_drude_transform.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_dt_reset.html lammps-6Jul17/doc/html/fix_dt_reset.html
--- lammps-23Jun17/doc/html/fix_dt_reset.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_efield.html lammps-6Jul17/doc/html/fix_efield.html
--- lammps-23Jun17/doc/html/fix_efield.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_ehex.html lammps-6Jul17/doc/html/fix_ehex.html
--- lammps-23Jun17/doc/html/fix_ehex.html	2017-06-23 17:49:38.000000000 -0600
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+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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diff -Naur lammps-23Jun17/doc/html/fix_enforce2d.html lammps-6Jul17/doc/html/fix_enforce2d.html
--- lammps-23Jun17/doc/html/fix_enforce2d.html	2017-06-23 17:49:38.000000000 -0600
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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diff -Naur lammps-23Jun17/doc/html/fix_eos_cv.html lammps-6Jul17/doc/html/fix_eos_cv.html
--- lammps-23Jun17/doc/html/fix_eos_cv.html	2017-06-23 17:49:38.000000000 -0600
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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diff -Naur lammps-23Jun17/doc/html/fix_eos_table.html lammps-6Jul17/doc/html/fix_eos_table.html
--- lammps-23Jun17/doc/html/fix_eos_table.html	2017-06-23 17:49:38.000000000 -0600
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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diff -Naur lammps-23Jun17/doc/html/fix_eos_table_rx.html lammps-6Jul17/doc/html/fix_eos_table_rx.html
--- lammps-23Jun17/doc/html/fix_eos_table_rx.html	2017-06-23 17:49:38.000000000 -0600
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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diff -Naur lammps-23Jun17/doc/html/fix_evaporate.html lammps-6Jul17/doc/html/fix_evaporate.html
--- lammps-23Jun17/doc/html/fix_evaporate.html	2017-06-23 17:49:38.000000000 -0600
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+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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diff -Naur lammps-23Jun17/doc/html/fix_external.html lammps-6Jul17/doc/html/fix_external.html
--- lammps-23Jun17/doc/html/fix_external.html	2017-06-23 17:49:38.000000000 -0600
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+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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diff -Naur lammps-23Jun17/doc/html/fix_filter_corotate.html lammps-6Jul17/doc/html/fix_filter_corotate.html
--- lammps-23Jun17/doc/html/fix_filter_corotate.html	2017-06-23 17:49:38.000000000 -0600
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+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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diff -Naur lammps-23Jun17/doc/html/fix_flow_gauss.html lammps-6Jul17/doc/html/fix_flow_gauss.html
--- lammps-23Jun17/doc/html/fix_flow_gauss.html	2017-06-23 17:49:38.000000000 -0600
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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diff -Naur lammps-23Jun17/doc/html/fix_freeze.html lammps-6Jul17/doc/html/fix_freeze.html
--- lammps-23Jun17/doc/html/fix_freeze.html	2017-06-23 17:49:38.000000000 -0600
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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diff -Naur lammps-23Jun17/doc/html/fix_gcmc.html lammps-6Jul17/doc/html/fix_gcmc.html
--- lammps-23Jun17/doc/html/fix_gcmc.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_gld.html lammps-6Jul17/doc/html/fix_gld.html
--- lammps-23Jun17/doc/html/fix_gld.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_gle.html lammps-6Jul17/doc/html/fix_gle.html
--- lammps-23Jun17/doc/html/fix_gle.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_gravity.html lammps-6Jul17/doc/html/fix_gravity.html
--- lammps-23Jun17/doc/html/fix_gravity.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_grem.html lammps-6Jul17/doc/html/fix_grem.html
--- lammps-23Jun17/doc/html/fix_grem.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_halt.html lammps-6Jul17/doc/html/fix_halt.html
--- lammps-23Jun17/doc/html/fix_halt.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_heat.html lammps-6Jul17/doc/html/fix_heat.html
--- lammps-23Jun17/doc/html/fix_heat.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_imd.html lammps-6Jul17/doc/html/fix_imd.html
--- lammps-23Jun17/doc/html/fix_imd.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_indent.html lammps-6Jul17/doc/html/fix_indent.html
--- lammps-23Jun17/doc/html/fix_indent.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_ipi.html lammps-6Jul17/doc/html/fix_ipi.html
--- lammps-23Jun17/doc/html/fix_ipi.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_langevin.html lammps-6Jul17/doc/html/fix_langevin.html
--- lammps-23Jun17/doc/html/fix_langevin.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_langevin_drude.html lammps-6Jul17/doc/html/fix_langevin_drude.html
--- lammps-23Jun17/doc/html/fix_langevin_drude.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_langevin_eff.html lammps-6Jul17/doc/html/fix_langevin_eff.html
--- lammps-23Jun17/doc/html/fix_langevin_eff.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_lb_fluid.html lammps-6Jul17/doc/html/fix_lb_fluid.html
--- lammps-23Jun17/doc/html/fix_lb_fluid.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_lb_momentum.html lammps-6Jul17/doc/html/fix_lb_momentum.html
--- lammps-23Jun17/doc/html/fix_lb_momentum.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_lb_pc.html lammps-6Jul17/doc/html/fix_lb_pc.html
--- lammps-23Jun17/doc/html/fix_lb_pc.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_lb_rigid_pc_sphere.html lammps-6Jul17/doc/html/fix_lb_rigid_pc_sphere.html
--- lammps-23Jun17/doc/html/fix_lb_rigid_pc_sphere.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_lb_viscous.html lammps-6Jul17/doc/html/fix_lb_viscous.html
--- lammps-23Jun17/doc/html/fix_lb_viscous.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_lineforce.html lammps-6Jul17/doc/html/fix_lineforce.html
--- lammps-23Jun17/doc/html/fix_lineforce.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_manifoldforce.html lammps-6Jul17/doc/html/fix_manifoldforce.html
--- lammps-23Jun17/doc/html/fix_manifoldforce.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_meso.html lammps-6Jul17/doc/html/fix_meso.html
--- lammps-23Jun17/doc/html/fix_meso.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_meso_stationary.html lammps-6Jul17/doc/html/fix_meso_stationary.html
--- lammps-23Jun17/doc/html/fix_meso_stationary.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_modify.html lammps-6Jul17/doc/html/fix_modify.html
--- lammps-23Jun17/doc/html/fix_modify.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_momentum.html lammps-6Jul17/doc/html/fix_momentum.html
--- lammps-23Jun17/doc/html/fix_momentum.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_move.html lammps-6Jul17/doc/html/fix_move.html
--- lammps-23Jun17/doc/html/fix_move.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_mscg.html lammps-6Jul17/doc/html/fix_mscg.html
--- lammps-23Jun17/doc/html/fix_mscg.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_msst.html lammps-6Jul17/doc/html/fix_msst.html
--- lammps-23Jun17/doc/html/fix_msst.html	2017-06-23 17:49:38.000000000 -0600
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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@@ -398,7 +398,7 @@
 </li>
 <li><p class="first">zero or more keyword value pairs may be appended</p>
 </li>
-<li><p class="first">keyword = <em>q</em> or <em>mu</em> or <em>p0</em> or <em>v0</em> or <em>e0</em> or <em>tscale</em></p>
+<li><p class="first">keyword = <em>q</em> or <em>mu</em> or <em>p0</em> or <em>v0</em> or <em>e0</em> or <em>tscale</em> or <em>beta</em> or <em>dftb</em></p>
 <pre class="literal-block">
 <em>q</em> value = cell mass-like parameter (mass^2/distance^4 units)
 <em>mu</em> value = artificial viscosity (mass/length/time units)
@@ -406,6 +406,8 @@
 <em>v0</em> value = initial simulation cell volume in the shock equations (distance^3 units)
 <em>e0</em> value = initial total energy (energy units)
 <em>tscale</em> value = reduction in initial temperature (unitless fraction between 0.0 and 1.0)
+<em>dftb</em> value = <em>yes</em> or <em>no</em> for whether using MSST in conjunction with DFTB+
+<em>beta</em> value = scale factor on energy contribution of DFTB+
 </pre>
 </li>
 </ul>
@@ -414,6 +416,7 @@
 <h2>Examples</h2>
 <div class="highlight-python"><div class="highlight"><pre>fix 1 all msst y 100.0 q 1.0e5 mu 1.0e5
 fix 2 all msst z 50.0 q 1.0e4 mu 1.0e4  v0 4.3419e+03 p0 3.7797e+03 e0 -9.72360e+02 tscale 0.01
+fix 1 all msst y 100.0 q 1.0e5 mu 1.0e5 dftb yes beta 0.5
 </pre></div>
 </div>
 </div>
@@ -441,11 +444,11 @@
 <em>mu</em> keyword adds an artificial viscosity that helps break the system
 symmetry to equilibrate to the shock Hugoniot and Rayleigh line more
 rapidly in such cases.</p>
-<p><em>tscale</em> is a factor between 0 and 1 that determines what fraction of
-thermal kinetic energy is converted to compressive strain kinetic
-energy at the start of the simulation.  Setting this parameter to a
-non-zero value may assist in compression at the start of simulations
-where it is slow to occur.</p>
+<p>The keyword <em>tscale</em> is a factor between 0 and 1 that determines what
+fraction of thermal kinetic energy is converted to compressive strain
+kinetic energy at the start of the simulation.  Setting this parameter
+to a non-zero value may assist in compression at the start of
+simulations where it is slow to occur.</p>
 <p>If keywords <em>e0</em>, <em>p0</em>,or <em>v0</em> are not supplied, these quantities will
 be calculated on the first step, after the energy specified by
 <em>tscale</em> is removed.  The value of <em>e0</em> is not used in the dynamical
@@ -456,16 +459,33 @@
 <p>For all pressure styles, the simulation box stays orthogonal in shape.
 Parrinello-Rahman boundary conditions (tilted box) are supported by
 LAMMPS, but are not implemented for MSST.</p>
-<p>This fix computes a temperature and pressure each timestep. To do
-this, the fix creates its own computes of style &#8220;temp&#8221; and &#8220;pressure&#8221;,
-as if these commands had been issued:</p>
-<div class="highlight-python"><div class="highlight"><pre>compute fix-ID_temp group-ID temp
-compute fix-ID_press group-ID pressure fix-ID_temp
+<p>This fix computes a temperature and pressure and potential energy each
+timestep. To do this, the fix creates its own computes of style &#8220;temp&#8221;
+&#8220;pressure&#8221;, and &#8220;pe&#8221;, as if these commands had been issued:</p>
+<div class="highlight-python"><div class="highlight"><pre>compute fix-ID_MSST_temp all temp
+compute fix-ID_MSST_press all pressure fix-ID_MSST_temp
+
+compute fix-ID_MSST_pe all pe
 </pre></div>
 </div>
 <p>See the <a class="reference internal" href="compute_temp.html"><em>compute temp</em></a> and <a class="reference internal" href="compute_pressure.html"><em>compute pressure</em></a> commands for details.  Note that the
-IDs of the new computes are the fix-ID + underscore + &#8220;temp&#8221; or fix_ID
-+ underscore + &#8220;press&#8221;.  The group for the new computes is &#8220;all&#8221;.</p>
+IDs of the new computes are the fix-ID + &#8220;_MSST_temp`or &lt;MSST_press&#8221;&gt;`_
+or &#8220;_MSST_pe&#8221;.  The group for the new computes is &#8220;all&#8221;.</p>
+<hr class="docutils" />
+<p>The <em>dftb</em> and <em>beta</em> keywords are to allow this fix to be used when
+LAMMPS is being driven by DFTB+, a density-functional tight-binding
+code.</p>
+<p>If the keyword <em>dftb</em> is used with a value of <em>yes</em>, then the MSST
+equations are altered to account for an energy contribution compute by
+DFTB+.  In this case, you must define a <a class="reference internal" href="fix_external.html"><em>fix external</em></a> command in your input script, which is
+used to callback to DFTB+ during the LAMMPS timestepping.  DFTB+ will
+communicate its info to LAMMPS via that fix.</p>
+<p>The keyword <em>beta</em> is a scale factor on the DFTB+ energy contribution.
+The value of <em>beta</em> must be between 0.0 and 1.0 inclusive.  A value of
+0.0 means no contribution, a value of 1.0 means a full contribution.</p>
+<p>(July 2017) More information about these keywords and the use of
+LAMMPS with DFTB+ will be added to the LAMMMPS documention soon.</p>
+<hr class="docutils" />
 <p><strong>Restart, fix_modify, output, run start/stop, minimize info:</strong></p>
 <p>This fix writes the state of all internal variables to <a class="reference internal" href="restart.html"><em>binary restart files</em></a>.  See the <a class="reference internal" href="read_restart.html"><em>read_restart</em></a> command
 for info on how to re-specify a fix in an input script that reads a
@@ -517,8 +537,9 @@
 </div>
 <div class="section" id="default">
 <h2>Default</h2>
-<p>The keyword defaults are q = 10, mu = 0, tscale = 0.01. p0, v0, and e0
-are calculated on the first step.</p>
+<p>The keyword defaults are q = 10, mu = 0, tscale = 0.01, dftb = no,
+beta = 0.0.  Note that p0, v0, and e0 are calculated on the first
+timestep.</p>
 <hr class="docutils" />
 <p id="reed"><strong>(Reed)</strong> Reed, Fried, and Joannopoulos, Phys. Rev. Lett., 90, 235503 (2003).</p>
 </div>
diff -Naur lammps-23Jun17/doc/html/fix_neb.html lammps-6Jul17/doc/html/fix_neb.html
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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diff -Naur lammps-23Jun17/doc/html/fix_nh.html lammps-6Jul17/doc/html/fix_nh.html
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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--- lammps-23Jun17/doc/html/fix_nh_eff.html	2017-06-23 17:49:38.000000000 -0600
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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--- lammps-23Jun17/doc/html/fix_nph_asphere.html	2017-06-23 17:49:38.000000000 -0600
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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--- lammps-23Jun17/doc/html/fix_nve.html	2017-06-23 17:49:38.000000000 -0600
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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diff -Naur lammps-23Jun17/doc/html/fix_nve_asphere_noforce.html lammps-6Jul17/doc/html/fix_nve_asphere_noforce.html
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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diff -Naur lammps-23Jun17/doc/html/fix_nve_manifold_rattle.html lammps-6Jul17/doc/html/fix_nve_manifold_rattle.html
--- lammps-23Jun17/doc/html/fix_nve_manifold_rattle.html	2017-06-23 17:49:38.000000000 -0600
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--- lammps-23Jun17/doc/html/fix_nve_noforce.html	2017-06-23 17:49:38.000000000 -0600
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--- lammps-23Jun17/doc/html/fix_nve_sphere.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_nve_tri.html lammps-6Jul17/doc/html/fix_nve_tri.html
--- lammps-23Jun17/doc/html/fix_nve_tri.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_nvk.html lammps-6Jul17/doc/html/fix_nvk.html
--- lammps-23Jun17/doc/html/fix_nvk.html	2017-06-23 17:49:38.000000000 -0600
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--- lammps-23Jun17/doc/html/fix_nvt_asphere.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_nvt_body.html lammps-6Jul17/doc/html/fix_nvt_body.html
--- lammps-23Jun17/doc/html/fix_nvt_body.html	2017-06-23 17:49:38.000000000 -0600
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--- lammps-23Jun17/doc/html/fix_nvt_manifold_rattle.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_nvt_sllod.html lammps-6Jul17/doc/html/fix_nvt_sllod.html
--- lammps-23Jun17/doc/html/fix_nvt_sllod.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_nvt_sllod_eff.html lammps-6Jul17/doc/html/fix_nvt_sllod_eff.html
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diff -Naur lammps-23Jun17/doc/html/fix_nvt_sphere.html lammps-6Jul17/doc/html/fix_nvt_sphere.html
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diff -Naur lammps-23Jun17/doc/html/fix_oneway.html lammps-6Jul17/doc/html/fix_oneway.html
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diff -Naur lammps-23Jun17/doc/html/fix_orient.html lammps-6Jul17/doc/html/fix_orient.html
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diff -Naur lammps-23Jun17/doc/html/fix_phonon.html lammps-6Jul17/doc/html/fix_phonon.html
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diff -Naur lammps-23Jun17/doc/html/fix_pimd.html lammps-6Jul17/doc/html/fix_pimd.html
--- lammps-23Jun17/doc/html/fix_pimd.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_planeforce.html lammps-6Jul17/doc/html/fix_planeforce.html
--- lammps-23Jun17/doc/html/fix_planeforce.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_poems.html lammps-6Jul17/doc/html/fix_poems.html
--- lammps-23Jun17/doc/html/fix_poems.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_pour.html lammps-6Jul17/doc/html/fix_pour.html
--- lammps-23Jun17/doc/html/fix_pour.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_press_berendsen.html lammps-6Jul17/doc/html/fix_press_berendsen.html
--- lammps-23Jun17/doc/html/fix_press_berendsen.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_print.html lammps-6Jul17/doc/html/fix_print.html
--- lammps-23Jun17/doc/html/fix_print.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_property_atom.html lammps-6Jul17/doc/html/fix_property_atom.html
--- lammps-23Jun17/doc/html/fix_property_atom.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_python.html lammps-6Jul17/doc/html/fix_python.html
--- lammps-23Jun17/doc/html/fix_python.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_qbmsst.html lammps-6Jul17/doc/html/fix_qbmsst.html
--- lammps-23Jun17/doc/html/fix_qbmsst.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_qeq.html lammps-6Jul17/doc/html/fix_qeq.html
--- lammps-23Jun17/doc/html/fix_qeq.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_qeq_comb.html lammps-6Jul17/doc/html/fix_qeq_comb.html
--- lammps-23Jun17/doc/html/fix_qeq_comb.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_qeq_reax.html lammps-6Jul17/doc/html/fix_qeq_reax.html
--- lammps-23Jun17/doc/html/fix_qeq_reax.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_qmmm.html lammps-6Jul17/doc/html/fix_qmmm.html
--- lammps-23Jun17/doc/html/fix_qmmm.html	2017-06-23 17:49:38.000000000 -0600
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--- lammps-23Jun17/doc/html/fix_qtb.html	2017-06-23 17:49:38.000000000 -0600
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--- lammps-23Jun17/doc/html/fix_reax_bonds.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_reaxc_species.html lammps-6Jul17/doc/html/fix_reaxc_species.html
--- lammps-23Jun17/doc/html/fix_reaxc_species.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_recenter.html lammps-6Jul17/doc/html/fix_recenter.html
--- lammps-23Jun17/doc/html/fix_recenter.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_restrain.html lammps-6Jul17/doc/html/fix_restrain.html
--- lammps-23Jun17/doc/html/fix_restrain.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_rigid.html lammps-6Jul17/doc/html/fix_rigid.html
--- lammps-23Jun17/doc/html/fix_rigid.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_rx.html lammps-6Jul17/doc/html/fix_rx.html
--- lammps-23Jun17/doc/html/fix_rx.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_saed_vtk.html lammps-6Jul17/doc/html/fix_saed_vtk.html
--- lammps-23Jun17/doc/html/fix_saed_vtk.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_setforce.html lammps-6Jul17/doc/html/fix_setforce.html
--- lammps-23Jun17/doc/html/fix_setforce.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_shake.html lammps-6Jul17/doc/html/fix_shake.html
--- lammps-23Jun17/doc/html/fix_shake.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_shardlow.html lammps-6Jul17/doc/html/fix_shardlow.html
--- lammps-23Jun17/doc/html/fix_shardlow.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_smd.html lammps-6Jul17/doc/html/fix_smd.html
--- lammps-23Jun17/doc/html/fix_smd.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_smd_adjust_dt.html lammps-6Jul17/doc/html/fix_smd_adjust_dt.html
--- lammps-23Jun17/doc/html/fix_smd_adjust_dt.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_smd_integrate_tlsph.html lammps-6Jul17/doc/html/fix_smd_integrate_tlsph.html
--- lammps-23Jun17/doc/html/fix_smd_integrate_tlsph.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_smd_integrate_ulsph.html lammps-6Jul17/doc/html/fix_smd_integrate_ulsph.html
--- lammps-23Jun17/doc/html/fix_smd_integrate_ulsph.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_smd_move_triangulated_surface.html lammps-6Jul17/doc/html/fix_smd_move_triangulated_surface.html
--- lammps-23Jun17/doc/html/fix_smd_move_triangulated_surface.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_smd_setvel.html lammps-6Jul17/doc/html/fix_smd_setvel.html
--- lammps-23Jun17/doc/html/fix_smd_setvel.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_smd_wall_surface.html lammps-6Jul17/doc/html/fix_smd_wall_surface.html
--- lammps-23Jun17/doc/html/fix_smd_wall_surface.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_spring.html lammps-6Jul17/doc/html/fix_spring.html
--- lammps-23Jun17/doc/html/fix_spring.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_spring_chunk.html lammps-6Jul17/doc/html/fix_spring_chunk.html
--- lammps-23Jun17/doc/html/fix_spring_chunk.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_spring_rg.html lammps-6Jul17/doc/html/fix_spring_rg.html
--- lammps-23Jun17/doc/html/fix_spring_rg.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_spring_self.html lammps-6Jul17/doc/html/fix_spring_self.html
--- lammps-23Jun17/doc/html/fix_spring_self.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_srd.html lammps-6Jul17/doc/html/fix_srd.html
--- lammps-23Jun17/doc/html/fix_srd.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_store_force.html lammps-6Jul17/doc/html/fix_store_force.html
--- lammps-23Jun17/doc/html/fix_store_force.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_store_state.html lammps-6Jul17/doc/html/fix_store_state.html
--- lammps-23Jun17/doc/html/fix_store_state.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_temp_berendsen.html lammps-6Jul17/doc/html/fix_temp_berendsen.html
--- lammps-23Jun17/doc/html/fix_temp_berendsen.html	2017-06-23 17:49:38.000000000 -0600
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--- lammps-23Jun17/doc/html/fix_temp_csvr.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_temp_rescale.html lammps-6Jul17/doc/html/fix_temp_rescale.html
--- lammps-23Jun17/doc/html/fix_temp_rescale.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_temp_rescale_eff.html lammps-6Jul17/doc/html/fix_temp_rescale_eff.html
--- lammps-23Jun17/doc/html/fix_temp_rescale_eff.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_tfmc.html lammps-6Jul17/doc/html/fix_tfmc.html
--- lammps-23Jun17/doc/html/fix_tfmc.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_thermal_conductivity.html lammps-6Jul17/doc/html/fix_thermal_conductivity.html
--- lammps-23Jun17/doc/html/fix_thermal_conductivity.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_ti_spring.html lammps-6Jul17/doc/html/fix_ti_spring.html
--- lammps-23Jun17/doc/html/fix_ti_spring.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_tmd.html lammps-6Jul17/doc/html/fix_tmd.html
--- lammps-23Jun17/doc/html/fix_tmd.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_ttm.html lammps-6Jul17/doc/html/fix_ttm.html
--- lammps-23Jun17/doc/html/fix_ttm.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_tune_kspace.html lammps-6Jul17/doc/html/fix_tune_kspace.html
--- lammps-23Jun17/doc/html/fix_tune_kspace.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_vector.html lammps-6Jul17/doc/html/fix_vector.html
--- lammps-23Jun17/doc/html/fix_vector.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_viscosity.html lammps-6Jul17/doc/html/fix_viscosity.html
--- lammps-23Jun17/doc/html/fix_viscosity.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_viscous.html lammps-6Jul17/doc/html/fix_viscous.html
--- lammps-23Jun17/doc/html/fix_viscous.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_wall.html lammps-6Jul17/doc/html/fix_wall.html
--- lammps-23Jun17/doc/html/fix_wall.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_wall_gran.html lammps-6Jul17/doc/html/fix_wall_gran.html
--- lammps-23Jun17/doc/html/fix_wall_gran.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_wall_gran_region.html lammps-6Jul17/doc/html/fix_wall_gran_region.html
--- lammps-23Jun17/doc/html/fix_wall_gran_region.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_wall_piston.html lammps-6Jul17/doc/html/fix_wall_piston.html
--- lammps-23Jun17/doc/html/fix_wall_piston.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_wall_reflect.html lammps-6Jul17/doc/html/fix_wall_reflect.html
--- lammps-23Jun17/doc/html/fix_wall_reflect.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_wall_region.html lammps-6Jul17/doc/html/fix_wall_region.html
--- lammps-23Jun17/doc/html/fix_wall_region.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fix_wall_srd.html lammps-6Jul17/doc/html/fix_wall_srd.html
--- lammps-23Jun17/doc/html/fix_wall_srd.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/fixes.html lammps-6Jul17/doc/html/fixes.html
--- lammps-23Jun17/doc/html/fixes.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/genindex.html lammps-6Jul17/doc/html/genindex.html
--- lammps-23Jun17/doc/html/genindex.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/group.html lammps-6Jul17/doc/html/group.html
--- lammps-23Jun17/doc/html/group.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/group2ndx.html lammps-6Jul17/doc/html/group2ndx.html
--- lammps-23Jun17/doc/html/group2ndx.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/if.html lammps-6Jul17/doc/html/if.html
--- lammps-23Jun17/doc/html/if.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/improper_class2.html lammps-6Jul17/doc/html/improper_class2.html
--- lammps-23Jun17/doc/html/improper_class2.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/improper_coeff.html lammps-6Jul17/doc/html/improper_coeff.html
--- lammps-23Jun17/doc/html/improper_coeff.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/improper_cossq.html lammps-6Jul17/doc/html/improper_cossq.html
--- lammps-23Jun17/doc/html/improper_cossq.html	2017-06-23 17:49:38.000000000 -0600
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--- lammps-23Jun17/doc/html/improper_cvff.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/improper_distance.html lammps-6Jul17/doc/html/improper_distance.html
--- lammps-23Jun17/doc/html/improper_distance.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/improper_fourier.html lammps-6Jul17/doc/html/improper_fourier.html
--- lammps-23Jun17/doc/html/improper_fourier.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/improper_harmonic.html lammps-6Jul17/doc/html/improper_harmonic.html
--- lammps-23Jun17/doc/html/improper_harmonic.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/improper_hybrid.html lammps-6Jul17/doc/html/improper_hybrid.html
--- lammps-23Jun17/doc/html/improper_hybrid.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/improper_none.html lammps-6Jul17/doc/html/improper_none.html
--- lammps-23Jun17/doc/html/improper_none.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/improper_ring.html lammps-6Jul17/doc/html/improper_ring.html
--- lammps-23Jun17/doc/html/improper_ring.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/improper_style.html lammps-6Jul17/doc/html/improper_style.html
--- lammps-23Jun17/doc/html/improper_style.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/improper_umbrella.html lammps-6Jul17/doc/html/improper_umbrella.html
--- lammps-23Jun17/doc/html/improper_umbrella.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/improper_zero.html lammps-6Jul17/doc/html/improper_zero.html
--- lammps-23Jun17/doc/html/improper_zero.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/impropers.html lammps-6Jul17/doc/html/impropers.html
--- lammps-23Jun17/doc/html/impropers.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/include.html lammps-6Jul17/doc/html/include.html
--- lammps-23Jun17/doc/html/include.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/info.html lammps-6Jul17/doc/html/info.html
--- lammps-23Jun17/doc/html/info.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/jump.html lammps-6Jul17/doc/html/jump.html
--- lammps-23Jun17/doc/html/jump.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/kspace_modify.html lammps-6Jul17/doc/html/kspace_modify.html
--- lammps-23Jun17/doc/html/kspace_modify.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/kspace_style.html lammps-6Jul17/doc/html/kspace_style.html
--- lammps-23Jun17/doc/html/kspace_style.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/label.html lammps-6Jul17/doc/html/label.html
--- lammps-23Jun17/doc/html/label.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/lattice.html lammps-6Jul17/doc/html/lattice.html
--- lammps-23Jun17/doc/html/lattice.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/log.html lammps-6Jul17/doc/html/log.html
--- lammps-23Jun17/doc/html/log.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/manifolds.html lammps-6Jul17/doc/html/manifolds.html
--- lammps-23Jun17/doc/html/manifolds.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/mass.html lammps-6Jul17/doc/html/mass.html
--- lammps-23Jun17/doc/html/mass.html	2017-06-23 17:49:38.000000000 -0600
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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diff -Naur lammps-23Jun17/doc/html/min_modify.html lammps-6Jul17/doc/html/min_modify.html
--- lammps-23Jun17/doc/html/min_modify.html	2017-06-23 17:49:38.000000000 -0600
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
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diff -Naur lammps-23Jun17/doc/html/min_style.html lammps-6Jul17/doc/html/min_style.html
--- lammps-23Jun17/doc/html/min_style.html	2017-06-23 17:49:38.000000000 -0600
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+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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diff -Naur lammps-23Jun17/doc/html/minimize.html lammps-6Jul17/doc/html/minimize.html
--- lammps-23Jun17/doc/html/minimize.html	2017-06-23 17:49:38.000000000 -0600
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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diff -Naur lammps-23Jun17/doc/html/molecule.html lammps-6Jul17/doc/html/molecule.html
--- lammps-23Jun17/doc/html/molecule.html	2017-06-23 17:49:38.000000000 -0600
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+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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diff -Naur lammps-23Jun17/doc/html/neb.html lammps-6Jul17/doc/html/neb.html
--- lammps-23Jun17/doc/html/neb.html	2017-06-23 17:49:38.000000000 -0600
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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diff -Naur lammps-23Jun17/doc/html/neigh_modify.html lammps-6Jul17/doc/html/neigh_modify.html
--- lammps-23Jun17/doc/html/neigh_modify.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/neigh_modify.html	2017-07-06 13:00:41.556378947 -0600
@@ -243,7 +243,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/neighbor.html lammps-6Jul17/doc/html/neighbor.html
--- lammps-23Jun17/doc/html/neighbor.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/neighbor.html	2017-07-06 13:00:41.551378799 -0600
@@ -243,7 +243,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/newton.html lammps-6Jul17/doc/html/newton.html
--- lammps-23Jun17/doc/html/newton.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/newton.html	2017-07-06 13:00:41.524377993 -0600
@@ -243,7 +243,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/next.html lammps-6Jul17/doc/html/next.html
--- lammps-23Jun17/doc/html/next.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/next.html	2017-07-06 13:00:41.551378799 -0600
@@ -242,7 +242,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/objects.inv lammps-6Jul17/doc/html/objects.inv
--- lammps-23Jun17/doc/html/objects.inv	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/objects.inv	2017-07-06 13:00:41.572379425 -0600
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diff -Naur lammps-23Jun17/doc/html/package.html lammps-6Jul17/doc/html/package.html
--- lammps-23Jun17/doc/html/package.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/package.html	2017-07-06 13:00:41.528378113 -0600
@@ -243,7 +243,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_adp.html lammps-6Jul17/doc/html/pair_adp.html
--- lammps-23Jun17/doc/html/pair_adp.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_adp.html	2017-07-06 13:00:41.552378828 -0600
@@ -371,6 +371,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_agni.html lammps-6Jul17/doc/html/pair_agni.html
--- lammps-23Jun17/doc/html/pair_agni.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_agni.html	2017-07-06 13:00:41.517377785 -0600
@@ -371,6 +371,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_airebo.html lammps-6Jul17/doc/html/pair_airebo.html
--- lammps-23Jun17/doc/html/pair_airebo.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_airebo.html	2017-07-06 13:00:41.551378799 -0600
@@ -371,6 +371,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_awpmd.html lammps-6Jul17/doc/html/pair_awpmd.html
--- lammps-23Jun17/doc/html/pair_awpmd.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_awpmd.html	2017-07-06 13:00:41.527378083 -0600
@@ -372,6 +372,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -523,7 +524,7 @@
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           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_beck.html lammps-6Jul17/doc/html/pair_beck.html
--- lammps-23Jun17/doc/html/pair_beck.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_beck.html	2017-07-06 13:00:41.527378083 -0600
@@ -371,6 +371,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
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 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
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           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_body.html lammps-6Jul17/doc/html/pair_body.html
--- lammps-23Jun17/doc/html/pair_body.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_body.html	2017-07-06 13:00:41.551378799 -0600
@@ -371,6 +371,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
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         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_bop.html lammps-6Jul17/doc/html/pair_bop.html
--- lammps-23Jun17/doc/html/pair_bop.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_bop.html	2017-07-06 13:00:41.554378887 -0600
@@ -372,6 +372,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -523,7 +524,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_born.html lammps-6Jul17/doc/html/pair_born.html
--- lammps-23Jun17/doc/html/pair_born.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_born.html	2017-07-06 13:00:41.555378917 -0600
@@ -371,6 +371,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_brownian.html lammps-6Jul17/doc/html/pair_brownian.html
--- lammps-23Jun17/doc/html/pair_brownian.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_brownian.html	2017-07-06 13:00:41.524377993 -0600
@@ -372,6 +372,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -523,7 +524,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_buck.html lammps-6Jul17/doc/html/pair_buck.html
--- lammps-23Jun17/doc/html/pair_buck.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_buck.html	2017-07-06 13:00:41.572379425 -0600
@@ -371,6 +371,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_buck_long.html lammps-6Jul17/doc/html/pair_buck_long.html
--- lammps-23Jun17/doc/html/pair_buck_long.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_buck_long.html	2017-07-06 13:00:41.568379305 -0600
@@ -371,6 +371,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_charmm.html lammps-6Jul17/doc/html/pair_charmm.html
--- lammps-23Jun17/doc/html/pair_charmm.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_charmm.html	2017-07-06 13:00:41.523377963 -0600
@@ -371,6 +371,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_class2.html lammps-6Jul17/doc/html/pair_class2.html
--- lammps-23Jun17/doc/html/pair_class2.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_class2.html	2017-07-06 13:00:41.567379275 -0600
@@ -371,6 +371,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_coeff.html lammps-6Jul17/doc/html/pair_coeff.html
--- lammps-23Jun17/doc/html/pair_coeff.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_coeff.html	2017-07-06 13:00:41.571379395 -0600
@@ -242,7 +242,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_colloid.html lammps-6Jul17/doc/html/pair_colloid.html
--- lammps-23Jun17/doc/html/pair_colloid.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_colloid.html	2017-07-06 13:00:41.573379455 -0600
@@ -371,6 +371,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_comb.html lammps-6Jul17/doc/html/pair_comb.html
--- lammps-23Jun17/doc/html/pair_comb.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_comb.html	2017-07-06 13:00:41.555378917 -0600
@@ -371,6 +371,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_coul.html lammps-6Jul17/doc/html/pair_coul.html
--- lammps-23Jun17/doc/html/pair_coul.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_coul.html	2017-07-06 13:00:41.525378023 -0600
@@ -371,6 +371,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_coul_diel.html lammps-6Jul17/doc/html/pair_coul_diel.html
--- lammps-23Jun17/doc/html/pair_coul_diel.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_coul_diel.html	2017-07-06 13:00:41.518377815 -0600
@@ -371,6 +371,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_cs.html lammps-6Jul17/doc/html/pair_cs.html
--- lammps-23Jun17/doc/html/pair_cs.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_cs.html	2017-07-06 13:00:41.528378113 -0600
@@ -371,6 +371,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_dipole.html lammps-6Jul17/doc/html/pair_dipole.html
--- lammps-23Jun17/doc/html/pair_dipole.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_dipole.html	2017-07-06 13:00:41.517377785 -0600
@@ -371,6 +371,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_dpd.html lammps-6Jul17/doc/html/pair_dpd.html
--- lammps-23Jun17/doc/html/pair_dpd.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_dpd.html	2017-07-06 13:00:41.552378828 -0600
@@ -371,6 +371,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_dpd_fdt.html lammps-6Jul17/doc/html/pair_dpd_fdt.html
--- lammps-23Jun17/doc/html/pair_dpd_fdt.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_dpd_fdt.html	2017-07-06 13:00:41.555378917 -0600
@@ -371,6 +371,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_dsmc.html lammps-6Jul17/doc/html/pair_dsmc.html
--- lammps-23Jun17/doc/html/pair_dsmc.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_dsmc.html	2017-07-06 13:00:41.551378799 -0600
@@ -371,6 +371,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_eam.html lammps-6Jul17/doc/html/pair_eam.html
--- lammps-23Jun17/doc/html/pair_eam.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_eam.html	2017-07-06 13:00:41.524377993 -0600
@@ -371,6 +371,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_edip.html lammps-6Jul17/doc/html/pair_edip.html
--- lammps-23Jun17/doc/html/pair_edip.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_edip.html	2017-07-06 13:00:41.526378053 -0600
@@ -371,6 +371,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_eff.html lammps-6Jul17/doc/html/pair_eff.html
--- lammps-23Jun17/doc/html/pair_eff.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_eff.html	2017-07-06 13:00:41.556378947 -0600
@@ -372,6 +372,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -523,7 +524,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_eim.html lammps-6Jul17/doc/html/pair_eim.html
--- lammps-23Jun17/doc/html/pair_eim.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_eim.html	2017-07-06 13:00:41.535378321 -0600
@@ -371,6 +371,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_exp6_rx.html lammps-6Jul17/doc/html/pair_exp6_rx.html
--- lammps-23Jun17/doc/html/pair_exp6_rx.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_exp6_rx.html	2017-07-06 13:00:41.551378799 -0600
@@ -371,6 +371,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_gauss.html lammps-6Jul17/doc/html/pair_gauss.html
--- lammps-23Jun17/doc/html/pair_gauss.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_gauss.html	2017-07-06 13:00:41.573379455 -0600
@@ -371,6 +371,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_gayberne.html lammps-6Jul17/doc/html/pair_gayberne.html
--- lammps-23Jun17/doc/html/pair_gayberne.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_gayberne.html	2017-07-06 13:00:41.529378143 -0600
@@ -371,6 +371,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_gran.html lammps-6Jul17/doc/html/pair_gran.html
--- lammps-23Jun17/doc/html/pair_gran.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_gran.html	2017-07-06 13:00:41.535378321 -0600
@@ -371,6 +371,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_gromacs.html lammps-6Jul17/doc/html/pair_gromacs.html
--- lammps-23Jun17/doc/html/pair_gromacs.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_gromacs.html	2017-07-06 13:00:41.555378917 -0600
@@ -371,6 +371,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_gw.html lammps-6Jul17/doc/html/pair_gw.html
--- lammps-23Jun17/doc/html/pair_gw.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_gw.html	2017-07-06 13:00:41.557378977 -0600
@@ -371,6 +371,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_hbond_dreiding.html lammps-6Jul17/doc/html/pair_hbond_dreiding.html
--- lammps-23Jun17/doc/html/pair_hbond_dreiding.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_hbond_dreiding.html	2017-07-06 13:00:41.530378173 -0600
@@ -371,6 +371,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_hybrid.html lammps-6Jul17/doc/html/pair_hybrid.html
--- lammps-23Jun17/doc/html/pair_hybrid.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_hybrid.html	2017-07-06 13:00:41.529378143 -0600
@@ -371,6 +371,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_kim.html lammps-6Jul17/doc/html/pair_kim.html
--- lammps-23Jun17/doc/html/pair_kim.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_kim.html	2017-07-06 13:00:41.527378083 -0600
@@ -371,6 +371,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_kolmogorov_crespi_z.html lammps-6Jul17/doc/html/pair_kolmogorov_crespi_z.html
--- lammps-23Jun17/doc/html/pair_kolmogorov_crespi_z.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_kolmogorov_crespi_z.html	2017-07-06 13:00:41.536378351 -0600
@@ -371,6 +371,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_lcbop.html lammps-6Jul17/doc/html/pair_lcbop.html
--- lammps-23Jun17/doc/html/pair_lcbop.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_lcbop.html	2017-07-06 13:00:41.553378857 -0600
@@ -371,6 +371,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_line_lj.html lammps-6Jul17/doc/html/pair_line_lj.html
--- lammps-23Jun17/doc/html/pair_line_lj.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_line_lj.html	2017-07-06 13:00:41.525378023 -0600
@@ -371,6 +371,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_list.html lammps-6Jul17/doc/html/pair_list.html
--- lammps-23Jun17/doc/html/pair_list.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_list.html	2017-07-06 13:00:41.536378351 -0600
@@ -371,6 +371,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_lj.html lammps-6Jul17/doc/html/pair_lj.html
--- lammps-23Jun17/doc/html/pair_lj.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_lj.html	2017-07-06 13:00:41.528378113 -0600
@@ -371,6 +371,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_lj96.html lammps-6Jul17/doc/html/pair_lj96.html
--- lammps-23Jun17/doc/html/pair_lj96.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_lj96.html	2017-07-06 13:00:41.536378351 -0600
@@ -371,6 +371,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_lj_cubic.html lammps-6Jul17/doc/html/pair_lj_cubic.html
--- lammps-23Jun17/doc/html/pair_lj_cubic.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_lj_cubic.html	2017-07-06 13:00:41.573379455 -0600
@@ -371,6 +371,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_lj_expand.html lammps-6Jul17/doc/html/pair_lj_expand.html
--- lammps-23Jun17/doc/html/pair_lj_expand.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_lj_expand.html	2017-07-06 13:00:41.534378291 -0600
@@ -371,6 +371,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_lj_long.html lammps-6Jul17/doc/html/pair_lj_long.html
--- lammps-23Jun17/doc/html/pair_lj_long.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_lj_long.html	2017-07-06 13:00:41.570379365 -0600
@@ -371,6 +371,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_lj_smooth.html lammps-6Jul17/doc/html/pair_lj_smooth.html
--- lammps-23Jun17/doc/html/pair_lj_smooth.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_lj_smooth.html	2017-07-06 13:00:41.551378799 -0600
@@ -371,6 +371,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_lj_smooth_linear.html lammps-6Jul17/doc/html/pair_lj_smooth_linear.html
--- lammps-23Jun17/doc/html/pair_lj_smooth_linear.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_lj_smooth_linear.html	2017-07-06 13:00:41.569379335 -0600
@@ -371,6 +371,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_lj_soft.html lammps-6Jul17/doc/html/pair_lj_soft.html
--- lammps-23Jun17/doc/html/pair_lj_soft.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_lj_soft.html	2017-07-06 13:00:41.517377785 -0600
@@ -371,6 +371,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_lubricate.html lammps-6Jul17/doc/html/pair_lubricate.html
--- lammps-23Jun17/doc/html/pair_lubricate.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_lubricate.html	2017-07-06 13:00:41.522377933 -0600
@@ -371,6 +371,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_lubricateU.html lammps-6Jul17/doc/html/pair_lubricateU.html
--- lammps-23Jun17/doc/html/pair_lubricateU.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_lubricateU.html	2017-07-06 13:00:41.528378113 -0600
@@ -371,6 +371,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_mdf.html lammps-6Jul17/doc/html/pair_mdf.html
--- lammps-23Jun17/doc/html/pair_mdf.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_mdf.html	2017-07-06 13:00:41.571379395 -0600
@@ -371,6 +371,7 @@
 </ul>
 </li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_meam.html lammps-6Jul17/doc/html/pair_meam.html
--- lammps-23Jun17/doc/html/pair_meam.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_meam.html	2017-07-06 13:00:41.533378262 -0600
@@ -363,7 +363,8 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html">pair_style lj/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
-<li class="toctree-l2 current"><a class="current reference internal" href="">pair_style meam command</a><ul>
+<li class="toctree-l2 current"><a class="current reference internal" href="">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="#pair-style-meam-c-command">pair_style meam/c command</a><ul>
 <li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
 <li class="toctree-l3"><a class="reference internal" href="#examples">Examples</a></li>
 <li class="toctree-l3"><a class="reference internal" href="#description">Description</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
@@ -554,11 +555,15 @@
             
   <div class="section" id="pair-style-meam-command">
 <span id="index-0"></span><h1>pair_style meam command</h1>
+</div>
+<div class="section" id="pair-style-meam-c-command">
+<h1>pair_style meam/c command</h1>
 <div class="section" id="syntax">
 <h2>Syntax</h2>
-<div class="highlight-python"><div class="highlight"><pre>pair_style meam
+<div class="highlight-python"><div class="highlight"><pre>pair_style style
 </pre></div>
 </div>
+<p>style = <em>meam</em> or <em>meam/c</em></p>
 </div>
 <div class="section" id="examples">
 <h2>Examples</h2>
@@ -582,7 +587,8 @@
 <a class="reference internal" href="pair_eam.html"><em>EAM potentials</em></a> which adds angular forces.  It is
 thus suitable for modeling metals and alloys with fcc, bcc, hcp and
 diamond cubic structures, as well as covalently bonded materials like
-silicon and carbon.</p>
+silicon and carbon. Style <em>meam/c</em> is a translation of the <em>meam</em> code
+from (mostly) Fortran to C++. It is functionally equivalent to <em>meam</em>.</p>
 <p>In the MEAM formulation, the total energy E of a system of atoms is
 given by:</p>
 <img alt="_images/pair_meam.jpg" class="align-center" src="_images/pair_meam.jpg" />
@@ -857,9 +863,14 @@
 <hr class="docutils" />
 <div class="section" id="restrictions">
 <h2>Restrictions</h2>
-<p>This style is part of the MEAM package.  It is only enabled if LAMMPS
+<p>The <em>meam</em> style is part of the MEAM package.  It is only enabled if LAMMPS
 was built with that package, which also requires the MEAM library be
-built and linked with LAMMPS.  See the <a class="reference internal" href="Section_start.html#start-3"><span>Making LAMMPS</span></a> section for more info.</p>
+built and linked with LAMMPS.
+The <em>meam/c</em> style is provided in the USER-MEAMC package. It is only enabled
+if LAMMPS was built with that package. In contrast to the <em>meam</em> style,
+<em>meam/c</em> does not require a separate library to be compiled and it can be
+instantiated multiple times in a <a class="reference internal" href="pair_hybrid.html"><em>hybrid</em></a> pair style.
+See the <a class="reference internal" href="Section_start.html#start-3"><span>Making LAMMPS</span></a> section for more info.</p>
 </div>
 <div class="section" id="related-commands">
 <h2>Related commands</h2>
diff -Naur lammps-23Jun17/doc/html/pair_meam_spline.html lammps-6Jul17/doc/html/pair_meam_spline.html
--- lammps-23Jun17/doc/html/pair_meam_spline.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_meam_spline.html	2017-07-06 13:00:41.571379395 -0600
@@ -364,6 +364,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2 current"><a class="current reference internal" href="">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="#pair-style-meam-spline-omp">pair_style meam/spline/omp</a><ul>
 <li class="toctree-l3"><a class="reference internal" href="#syntax">Syntax</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_meam_sw_spline.html lammps-6Jul17/doc/html/pair_meam_sw_spline.html
--- lammps-23Jun17/doc/html/pair_meam_sw_spline.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_meam_sw_spline.html	2017-07-06 13:00:41.571379395 -0600
@@ -364,6 +364,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2 current"><a class="current reference internal" href="">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_mgpt.html lammps-6Jul17/doc/html/pair_mgpt.html
--- lammps-23Jun17/doc/html/pair_mgpt.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_mgpt.html	2017-07-06 13:00:41.573379455 -0600
@@ -364,6 +364,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -523,7 +524,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_mie.html lammps-6Jul17/doc/html/pair_mie.html
--- lammps-23Jun17/doc/html/pair_mie.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_mie.html	2017-07-06 13:00:41.517377785 -0600
@@ -364,6 +364,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_modify.html lammps-6Jul17/doc/html/pair_modify.html
--- lammps-23Jun17/doc/html/pair_modify.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_modify.html	2017-07-06 13:00:41.525378023 -0600
@@ -243,7 +243,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_momb.html lammps-6Jul17/doc/html/pair_momb.html
--- lammps-23Jun17/doc/html/pair_momb.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_momb.html	2017-07-06 13:00:41.530378173 -0600
@@ -364,6 +364,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_morse.html lammps-6Jul17/doc/html/pair_morse.html
--- lammps-23Jun17/doc/html/pair_morse.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_morse.html	2017-07-06 13:00:41.568379305 -0600
@@ -364,6 +364,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_multi_lucy.html lammps-6Jul17/doc/html/pair_multi_lucy.html
--- lammps-23Jun17/doc/html/pair_multi_lucy.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_multi_lucy.html	2017-07-06 13:00:41.522377933 -0600
@@ -364,6 +364,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_multi_lucy_rx.html lammps-6Jul17/doc/html/pair_multi_lucy_rx.html
--- lammps-23Jun17/doc/html/pair_multi_lucy_rx.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_multi_lucy_rx.html	2017-07-06 13:00:41.572379425 -0600
@@ -364,6 +364,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_nb3b_harmonic.html lammps-6Jul17/doc/html/pair_nb3b_harmonic.html
--- lammps-23Jun17/doc/html/pair_nb3b_harmonic.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_nb3b_harmonic.html	2017-07-06 13:00:41.558379007 -0600
@@ -364,6 +364,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
@@ -622,10 +623,12 @@
 <p>For a given entry, if the first three arguments are all different,
 then the entry is for the <em>K</em> and <em>theta_0</em> parameters (the cutoff in
 this case is irrelevant).</p>
-<p>It is <em>not</em> required that the potential file contain entries for all
-of the elements listed in the pair_coeff command.  It can also contain
-entries for additional elements not being used in a particular
-simulation; LAMMPS ignores those entries.</p>
+<p>It is required that the potential file contains entries for <em>all</em>
+permutations of the elements listed in the pair_coeff command.
+If certain combinations are not parameterized the corresponding
+parameters should be set to zero. The potential file can also
+contain entries for additional elements which are not used in
+a particular simulation; LAMMPS ignores those entries.</p>
 <hr class="docutils" />
 <p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
 functionally the same as the corresponding style without the suffix.
diff -Naur lammps-23Jun17/doc/html/pair_nm.html lammps-6Jul17/doc/html/pair_nm.html
--- lammps-23Jun17/doc/html/pair_nm.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_nm.html	2017-07-06 13:00:41.553378857 -0600
@@ -364,6 +364,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_none.html lammps-6Jul17/doc/html/pair_none.html
--- lammps-23Jun17/doc/html/pair_none.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_none.html	2017-07-06 13:00:41.516377755 -0600
@@ -364,6 +364,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
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           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_oxdna.html lammps-6Jul17/doc/html/pair_oxdna.html
--- lammps-23Jun17/doc/html/pair_oxdna.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_oxdna.html	2017-07-06 13:00:41.521377904 -0600
@@ -364,6 +364,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
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           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_oxdna2.html lammps-6Jul17/doc/html/pair_oxdna2.html
--- lammps-23Jun17/doc/html/pair_oxdna2.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_oxdna2.html	2017-07-06 13:00:41.528378113 -0600
@@ -364,6 +364,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
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         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_peri.html lammps-6Jul17/doc/html/pair_peri.html
--- lammps-23Jun17/doc/html/pair_peri.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_peri.html	2017-07-06 13:00:41.525378023 -0600
@@ -364,6 +364,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
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         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_polymorphic.html lammps-6Jul17/doc/html/pair_polymorphic.html
--- lammps-23Jun17/doc/html/pair_polymorphic.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_polymorphic.html	2017-07-06 13:00:41.525378023 -0600
@@ -364,6 +364,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
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         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_python.html lammps-6Jul17/doc/html/pair_python.html
--- lammps-23Jun17/doc/html/pair_python.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_python.html	2017-07-06 13:00:41.571379395 -0600
@@ -364,6 +364,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_quip.html lammps-6Jul17/doc/html/pair_quip.html
--- lammps-23Jun17/doc/html/pair_quip.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_quip.html	2017-07-06 13:00:41.526378053 -0600
@@ -364,6 +364,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_reax.html lammps-6Jul17/doc/html/pair_reax.html
--- lammps-23Jun17/doc/html/pair_reax.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_reax.html	2017-07-06 13:00:41.525378023 -0600
@@ -364,6 +364,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -523,7 +524,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_reaxc.html lammps-6Jul17/doc/html/pair_reaxc.html
--- lammps-23Jun17/doc/html/pair_reaxc.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_reaxc.html	2017-07-06 13:00:41.521377904 -0600
@@ -364,6 +364,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -523,7 +524,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_resquared.html lammps-6Jul17/doc/html/pair_resquared.html
--- lammps-23Jun17/doc/html/pair_resquared.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_resquared.html	2017-07-06 13:00:41.527378083 -0600
@@ -364,6 +364,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_sdk.html lammps-6Jul17/doc/html/pair_sdk.html
--- lammps-23Jun17/doc/html/pair_sdk.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_sdk.html	2017-07-06 13:00:41.519377845 -0600
@@ -364,6 +364,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_smd_hertz.html lammps-6Jul17/doc/html/pair_smd_hertz.html
--- lammps-23Jun17/doc/html/pair_smd_hertz.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_smd_hertz.html	2017-07-06 13:00:41.554378887 -0600
@@ -364,6 +364,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_smd_tlsph.html lammps-6Jul17/doc/html/pair_smd_tlsph.html
--- lammps-23Jun17/doc/html/pair_smd_tlsph.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_smd_tlsph.html	2017-07-06 13:00:41.572379425 -0600
@@ -364,6 +364,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_smd_triangulated_surface.html lammps-6Jul17/doc/html/pair_smd_triangulated_surface.html
--- lammps-23Jun17/doc/html/pair_smd_triangulated_surface.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_smd_triangulated_surface.html	2017-07-06 13:00:41.568379305 -0600
@@ -364,6 +364,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_smd_ulsph.html lammps-6Jul17/doc/html/pair_smd_ulsph.html
--- lammps-23Jun17/doc/html/pair_smd_ulsph.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_smd_ulsph.html	2017-07-06 13:00:41.524377993 -0600
@@ -364,6 +364,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_smtbq.html lammps-6Jul17/doc/html/pair_smtbq.html
--- lammps-23Jun17/doc/html/pair_smtbq.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_smtbq.html	2017-07-06 13:00:41.569379335 -0600
@@ -364,6 +364,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -520,7 +521,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_snap.html lammps-6Jul17/doc/html/pair_snap.html
--- lammps-23Jun17/doc/html/pair_snap.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_snap.html	2017-07-06 13:00:41.536378351 -0600
@@ -364,6 +364,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_soft.html lammps-6Jul17/doc/html/pair_soft.html
--- lammps-23Jun17/doc/html/pair_soft.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_soft.html	2017-07-06 13:00:41.557378977 -0600
@@ -364,6 +364,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_sph_heatconduction.html lammps-6Jul17/doc/html/pair_sph_heatconduction.html
--- lammps-23Jun17/doc/html/pair_sph_heatconduction.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_sph_heatconduction.html	2017-07-06 13:00:41.557378977 -0600
@@ -364,6 +364,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_sph_idealgas.html lammps-6Jul17/doc/html/pair_sph_idealgas.html
--- lammps-23Jun17/doc/html/pair_sph_idealgas.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_sph_idealgas.html	2017-07-06 13:00:41.553378857 -0600
@@ -364,6 +364,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_sph_lj.html lammps-6Jul17/doc/html/pair_sph_lj.html
--- lammps-23Jun17/doc/html/pair_sph_lj.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_sph_lj.html	2017-07-06 13:00:41.554378887 -0600
@@ -364,6 +364,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_sph_rhosum.html lammps-6Jul17/doc/html/pair_sph_rhosum.html
--- lammps-23Jun17/doc/html/pair_sph_rhosum.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_sph_rhosum.html	2017-07-06 13:00:41.557378977 -0600
@@ -364,6 +364,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_sph_taitwater.html lammps-6Jul17/doc/html/pair_sph_taitwater.html
--- lammps-23Jun17/doc/html/pair_sph_taitwater.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_sph_taitwater.html	2017-07-06 13:00:41.555378917 -0600
@@ -364,6 +364,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_sph_taitwater_morris.html lammps-6Jul17/doc/html/pair_sph_taitwater_morris.html
--- lammps-23Jun17/doc/html/pair_sph_taitwater_morris.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_sph_taitwater_morris.html	2017-07-06 13:00:41.530378173 -0600
@@ -364,6 +364,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_srp.html lammps-6Jul17/doc/html/pair_srp.html
--- lammps-23Jun17/doc/html/pair_srp.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_srp.html	2017-07-06 13:00:41.526378053 -0600
@@ -364,6 +364,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -523,7 +524,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_style.html lammps-6Jul17/doc/html/pair_style.html
--- lammps-23Jun17/doc/html/pair_style.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_style.html	2017-07-06 13:00:41.536378351 -0600
@@ -243,7 +243,7 @@
       <div class="wy-nav-content">
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           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_sw.html lammps-6Jul17/doc/html/pair_sw.html
--- lammps-23Jun17/doc/html/pair_sw.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_sw.html	2017-07-06 13:00:41.568379305 -0600
@@ -364,6 +364,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
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 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
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         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_table.html lammps-6Jul17/doc/html/pair_table.html
--- lammps-23Jun17/doc/html/pair_table.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_table.html	2017-07-06 13:00:41.527378083 -0600
@@ -364,6 +364,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
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         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_table_rx.html lammps-6Jul17/doc/html/pair_table_rx.html
--- lammps-23Jun17/doc/html/pair_table_rx.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_table_rx.html	2017-07-06 13:00:41.521377904 -0600
@@ -364,6 +364,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_tersoff.html lammps-6Jul17/doc/html/pair_tersoff.html
--- lammps-23Jun17/doc/html/pair_tersoff.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_tersoff.html	2017-07-06 13:00:41.569379335 -0600
@@ -364,6 +364,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_tersoff_mod.html lammps-6Jul17/doc/html/pair_tersoff_mod.html
--- lammps-23Jun17/doc/html/pair_tersoff_mod.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_tersoff_mod.html	2017-07-06 13:00:41.552378828 -0600
@@ -364,6 +364,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_tersoff_zbl.html lammps-6Jul17/doc/html/pair_tersoff_zbl.html
--- lammps-23Jun17/doc/html/pair_tersoff_zbl.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_tersoff_zbl.html	2017-07-06 13:00:41.569379335 -0600
@@ -364,6 +364,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_thole.html lammps-6Jul17/doc/html/pair_thole.html
--- lammps-23Jun17/doc/html/pair_thole.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_thole.html	2017-07-06 13:00:41.517377785 -0600
@@ -364,6 +364,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_tri_lj.html lammps-6Jul17/doc/html/pair_tri_lj.html
--- lammps-23Jun17/doc/html/pair_tri_lj.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_tri_lj.html	2017-07-06 13:00:41.553378857 -0600
@@ -364,6 +364,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_vashishta.html lammps-6Jul17/doc/html/pair_vashishta.html
--- lammps-23Jun17/doc/html/pair_vashishta.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_vashishta.html	2017-07-06 13:00:41.570379365 -0600
@@ -364,6 +364,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_write.html lammps-6Jul17/doc/html/pair_write.html
--- lammps-23Jun17/doc/html/pair_write.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_write.html	2017-07-06 13:00:41.523377963 -0600
@@ -242,7 +242,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_yukawa.html lammps-6Jul17/doc/html/pair_yukawa.html
--- lammps-23Jun17/doc/html/pair_yukawa.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_yukawa.html	2017-07-06 13:00:41.552378828 -0600
@@ -364,6 +364,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_yukawa_colloid.html lammps-6Jul17/doc/html/pair_yukawa_colloid.html
--- lammps-23Jun17/doc/html/pair_yukawa_colloid.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_yukawa_colloid.html	2017-07-06 13:00:41.523377963 -0600
@@ -364,6 +364,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_zbl.html lammps-6Jul17/doc/html/pair_zbl.html
--- lammps-23Jun17/doc/html/pair_zbl.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_zbl.html	2017-07-06 13:00:41.529378143 -0600
@@ -364,6 +364,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pair_zero.html lammps-6Jul17/doc/html/pair_zero.html
--- lammps-23Jun17/doc/html/pair_zero.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pair_zero.html	2017-07-06 13:00:41.535378321 -0600
@@ -364,6 +364,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -522,7 +523,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/pairs.html lammps-6Jul17/doc/html/pairs.html
--- lammps-23Jun17/doc/html/pairs.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/pairs.html	2017-07-06 13:00:41.524377993 -0600
@@ -363,6 +363,7 @@
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l2"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
@@ -514,7 +515,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
@@ -813,6 +814,7 @@
 <li class="toctree-l1"><a class="reference internal" href="pair_mdf.html#pair-style-buck-mdf-command">pair_style buck/mdf command</a></li>
 <li class="toctree-l1"><a class="reference internal" href="pair_mdf.html#pair-style-lennard-mdf-command">pair_style lennard/mdf command</a></li>
 <li class="toctree-l1"><a class="reference internal" href="pair_meam.html">pair_style meam command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="pair_meam.html#pair-style-meam-c-command">pair_style meam/c command</a></li>
 <li class="toctree-l1"><a class="reference internal" href="pair_meam_spline.html">pair_style meam/spline</a></li>
 <li class="toctree-l1"><a class="reference internal" href="pair_meam_spline.html#pair-style-meam-spline-omp">pair_style meam/spline/omp</a></li>
 <li class="toctree-l1"><a class="reference internal" href="pair_meam_sw_spline.html">pair_style meam/sw/spline</a></li>
diff -Naur lammps-23Jun17/doc/html/partition.html lammps-6Jul17/doc/html/partition.html
--- lammps-23Jun17/doc/html/partition.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/partition.html	2017-07-06 13:00:41.535378321 -0600
@@ -242,7 +242,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/prd.html lammps-6Jul17/doc/html/prd.html
--- lammps-23Jun17/doc/html/prd.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/prd.html	2017-07-06 13:00:41.533378262 -0600
@@ -243,7 +243,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/print.html lammps-6Jul17/doc/html/print.html
--- lammps-23Jun17/doc/html/print.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/print.html	2017-07-06 13:00:41.524377993 -0600
@@ -243,7 +243,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/processors.html lammps-6Jul17/doc/html/processors.html
--- lammps-23Jun17/doc/html/processors.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/processors.html	2017-07-06 13:00:41.569379335 -0600
@@ -243,7 +243,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/python.html lammps-6Jul17/doc/html/python.html
--- lammps-23Jun17/doc/html/python.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/python.html	2017-07-06 13:00:41.558379007 -0600
@@ -242,7 +242,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/quit.html lammps-6Jul17/doc/html/quit.html
--- lammps-23Jun17/doc/html/quit.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/quit.html	2017-07-06 13:00:41.557378977 -0600
@@ -242,7 +242,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/read_data.html lammps-6Jul17/doc/html/read_data.html
--- lammps-23Jun17/doc/html/read_data.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/read_data.html	2017-07-06 13:00:41.552378828 -0600
@@ -243,7 +243,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
@@ -285,7 +285,7 @@
 </li>
 <li><p class="first">zero or more keyword/arg pairs may be appended</p>
 </li>
-<li><p class="first">keyword = <em>add</em> or <em>offset</em> or <em>shift</em> or <em>extra/atom/types</em> or <em>extra/bond/types</em> or <em>extra/angle/types</em> or <em>extra/dihedral/types</em> or <em>extra/improper/types</em> or <em>group</em> or <em>nocoeff</em> or <em>fix</em></p>
+<li><p class="first">keyword = <em>add</em> or <em>offset</em> or <em>shift</em> or <em>extra/atom/types</em> or <em>extra/bond/types</em> or <em>extra/angle/types</em> or <em>extra/dihedral/types</em> or <em>extra/improper/types</em> or <em>extra/bond/per/atom</em> or <em>extra/angle/per/atom</em> or <em>extra/dihedral/per/atom</em> or <em>extra/improper/per/atom</em> or <em>group</em> or <em>nocoeff</em> or <em>fix</em></p>
 <pre class="literal-block">
 <em>add</em> arg = <em>append</em> or <em>Nstart</em> or <em>merge</em>
   append = add new atoms with IDs appended to current IDs
@@ -304,6 +304,11 @@
 <em>extra/angle/types</em> arg = # of extra angle types
 <em>extra/dihedral/types</em> arg = # of extra dihedral types
 <em>extra/improper/types</em> arg = # of extra improper types
+<em>extra/bond/per/atom</em> arg = leave space for this many new bonds per atom
+<em>extra/angle/per/atom</em> arg = leave space for this many new angles per atom
+<em>extra/dihedral/per/atom</em> arg = leave space for this many new dihedrals per atom
+<em>extra/improper/per/atom</em> arg = leave space for this many new impropers per atom
+<em>extra/special/per/atom</em> arg = leave space for extra 1-2,1-3,1-4 interactions per atom
 <em>group</em> args = groupID
   groupID = add atoms in data file to this group
 <em>nocoeff</em> = ignore force field parameters
@@ -516,11 +521,11 @@
 <li><em>angle types</em> = # of angle types in system</li>
 <li><em>dihedral types</em> = # of dihedral types in system</li>
 <li><em>improper types</em> = # of improper types in system</li>
-<li><em>extra bond per atom</em> = leave space for this many new bonds per atom</li>
-<li><em>extra angle per atom</em> = leave space for this many new angles per atom</li>
-<li><em>extra dihedral per atom</em> = leave space for this many new dihedrals per atom</li>
-<li><em>extra improper per atom</em> = leave space for this many new impropers per atom</li>
-<li><em>extra special per atom</em> = leave space for this many new special bonds per atom</li>
+<li><em>extra bond per atom</em> = leave space for this many new bonds per atom (deprecated, use extra/bond/per/atom keyword)</li>
+<li><em>extra angle per atom</em> = leave space for this many new angles per atom (deprecated, use extra/angle/per/atom keyword)</li>
+<li><em>extra dihedral per atom</em> = leave space for this many new dihedrals per atom (deprecated, use extra/dihedral/per/atom keyword)</li>
+<li><em>extra improper per atom</em> = leave space for this many new impropers per atom (deprecated, use extra/improper/per/atom keyword)</li>
+<li><em>extra special per atom</em> = leave space for this many new special bonds per atom (deprecated, use extra/special/per/atom keyword)</li>
 <li><em>ellipsoids</em> = # of ellipsoids in system</li>
 <li><em>lines</em> = # of line segments in system</li>
 <li><em>triangles</em> = # of triangles in system</li>
@@ -610,23 +615,32 @@
 </div>
 <p>The &#8220;extra bond per atom&#8221; setting (angle, dihedral, improper) is only
 needed if new bonds (angles, dihedrals, impropers) will be added to
-the system when a simulation runs, e.g. by using the <a class="reference internal" href="fix_bond_create.html"><em>fix bond/create</em></a> command.  This will pre-allocate
-space in LAMMPS data structures for storing the new bonds (angles,
-dihedrals, impropers).</p>
+the system when a simulation runs, e.g. by using the <a class="reference internal" href="fix_bond_create.html"><em>fix bond/create</em></a> command. Using this header flag
+is deprecated; please use the <em>extra/bond/per/atom</em> keyword (and
+correspondingly for angles, dihedrals and impropers) in the
+read_data command instead. Either will pre-allocate space in LAMMPS</p>
+<blockquote>
+<div>data structures for storing the new bonds (angles,</div></blockquote>
+<p>dihedrals, impropers).</p>
 <p>The &#8220;extra special per atom&#8221; setting is typically only needed if new
 bonds/angles/etc will be added to the system, e.g. by using the <a class="reference internal" href="fix_bond_create.html"><em>fix bond/create</em></a> command.  Or if entire new molecules
-will be added to the system, e.g. by using the <a class="reference internal" href="fix_deposit.html"><em>fix deposit</em></a> or <a class="reference internal" href="fix_pour.html"><em>fix pour</em></a> commands, which
-will have more special 1-2,1-3,1-4 neighbors than any other molecules
-defined in the data file.  Using this setting will pre-allocate space
-in the LAMMPS data structures for storing these neighbors.  See the
+will be added to the system, e.g. by using the
+<a class="reference internal" href="fix_deposit.html"><em>fix deposit</em></a> or <a class="reference internal" href="fix_pour.html"><em>fix pour</em></a> commands,
+which will have more special 1-2,1-3,1-4 neighbors than any other
+molecules defined in the data file.  Using this header flag is
+deprecated; please use the <em>extra/special/per/atom</em> keyword instead.
+Using this setting will pre-allocate space in the LAMMPS data
+structures for storing these neighbors.  See the
 <a class="reference internal" href="special_bonds.html"><em>special_bonds</em></a> and <a class="reference internal" href="molecule.html"><em>molecule</em></a> doc
 pages for more discussion of 1-2,1-3,1-4 neighbors.</p>
 <div class="admonition note">
 <p class="first admonition-title">Note</p>
-<p class="last">All of the &#8220;extra&#8221; settings are only used if they appear in the
-first data file read; see the description of the <em>add</em> keyword above
-for reading multiple data files.  If they appear in later data files,
-they are ignored.</p>
+<p class="last">All of the &#8220;extra&#8221; settings are only applied in the first data
+file read and when no simulation box has yet been created; as soon as
+the simulation box is created (and read_data implies that), these
+settings are <em>locked</em> and cannot be changed anymore. Please see the
+description of the <em>add</em> keyword above for reading multiple data files.
+If they appear in later data files, they are ignored.</p>
 </div>
 <p>The &#8220;ellipsoids&#8221; and &#8220;lines&#8221; and &#8220;triangles&#8221; and &#8220;bodies&#8221; settings are
 only used with <a class="reference internal" href="atom_style.html"><em>atom_style ellipsoid or line or tri or body</em></a> and specify how many of the atoms are
diff -Naur lammps-23Jun17/doc/html/read_dump.html lammps-6Jul17/doc/html/read_dump.html
--- lammps-23Jun17/doc/html/read_dump.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/read_dump.html	2017-07-06 13:00:41.572379425 -0600
@@ -243,7 +243,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/read_restart.html lammps-6Jul17/doc/html/read_restart.html
--- lammps-23Jun17/doc/html/read_restart.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/read_restart.html	2017-07-06 13:00:41.571379395 -0600
@@ -242,7 +242,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/region.html lammps-6Jul17/doc/html/region.html
--- lammps-23Jun17/doc/html/region.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/region.html	2017-07-06 13:00:41.551378799 -0600
@@ -243,7 +243,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/replicate.html lammps-6Jul17/doc/html/replicate.html
--- lammps-23Jun17/doc/html/replicate.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/replicate.html	2017-07-06 13:00:41.518377815 -0600
@@ -241,7 +241,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/rerun.html lammps-6Jul17/doc/html/rerun.html
--- lammps-23Jun17/doc/html/rerun.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/rerun.html	2017-07-06 13:00:41.555378917 -0600
@@ -243,7 +243,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
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--- lammps-23Jun17/doc/html/reset_timestep.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/restart.html lammps-6Jul17/doc/html/restart.html
--- lammps-23Jun17/doc/html/restart.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/run.html lammps-6Jul17/doc/html/run.html
--- lammps-23Jun17/doc/html/run.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/run_style.html lammps-6Jul17/doc/html/run_style.html
--- lammps-23Jun17/doc/html/run_style.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/search.html lammps-6Jul17/doc/html/search.html
--- lammps-23Jun17/doc/html/search.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/set.html lammps-6Jul17/doc/html/set.html
--- lammps-23Jun17/doc/html/set.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/shell.html lammps-6Jul17/doc/html/shell.html
--- lammps-23Jun17/doc/html/shell.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/special_bonds.html lammps-6Jul17/doc/html/special_bonds.html
--- lammps-23Jun17/doc/html/special_bonds.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/suffix.html lammps-6Jul17/doc/html/suffix.html
--- lammps-23Jun17/doc/html/suffix.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/tad.html lammps-6Jul17/doc/html/tad.html
--- lammps-23Jun17/doc/html/tad.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/temper.html lammps-6Jul17/doc/html/temper.html
--- lammps-23Jun17/doc/html/temper.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/temper_grem.html lammps-6Jul17/doc/html/temper_grem.html
--- lammps-23Jun17/doc/html/temper_grem.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/thermo.html lammps-6Jul17/doc/html/thermo.html
--- lammps-23Jun17/doc/html/thermo.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/thermo_modify.html lammps-6Jul17/doc/html/thermo_modify.html
--- lammps-23Jun17/doc/html/thermo_modify.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/thermo_style.html lammps-6Jul17/doc/html/thermo_style.html
--- lammps-23Jun17/doc/html/thermo_style.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/timer.html lammps-6Jul17/doc/html/timer.html
--- lammps-23Jun17/doc/html/timer.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/timestep.html lammps-6Jul17/doc/html/timestep.html
--- lammps-23Jun17/doc/html/timestep.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/tutorial_drude.html lammps-6Jul17/doc/html/tutorial_drude.html
--- lammps-23Jun17/doc/html/tutorial_drude.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/tutorial_github.html lammps-6Jul17/doc/html/tutorial_github.html
--- lammps-23Jun17/doc/html/tutorial_github.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/tutorial_pylammps.html lammps-6Jul17/doc/html/tutorial_pylammps.html
--- lammps-23Jun17/doc/html/tutorial_pylammps.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/tutorials.html lammps-6Jul17/doc/html/tutorials.html
--- lammps-23Jun17/doc/html/tutorials.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/uncompute.html lammps-6Jul17/doc/html/uncompute.html
--- lammps-23Jun17/doc/html/uncompute.html	2017-06-23 17:49:38.000000000 -0600
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diff -Naur lammps-23Jun17/doc/html/undump.html lammps-6Jul17/doc/html/undump.html
--- lammps-23Jun17/doc/html/undump.html	2017-06-23 17:49:38.000000000 -0600
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+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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diff -Naur lammps-23Jun17/doc/html/unfix.html lammps-6Jul17/doc/html/unfix.html
--- lammps-23Jun17/doc/html/unfix.html	2017-06-23 17:49:38.000000000 -0600
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+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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diff -Naur lammps-23Jun17/doc/html/units.html lammps-6Jul17/doc/html/units.html
--- lammps-23Jun17/doc/html/units.html	2017-06-23 17:49:38.000000000 -0600
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+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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diff -Naur lammps-23Jun17/doc/html/variable.html lammps-6Jul17/doc/html/variable.html
--- lammps-23Jun17/doc/html/variable.html	2017-06-23 17:49:38.000000000 -0600
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+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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diff -Naur lammps-23Jun17/doc/html/velocity.html lammps-6Jul17/doc/html/velocity.html
--- lammps-23Jun17/doc/html/velocity.html	2017-06-23 17:49:38.000000000 -0600
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+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
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diff -Naur lammps-23Jun17/doc/html/write_coeff.html lammps-6Jul17/doc/html/write_coeff.html
--- lammps-23Jun17/doc/html/write_coeff.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/write_coeff.html	2017-07-06 13:00:41.529378143 -0600
@@ -242,7 +242,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/write_data.html lammps-6Jul17/doc/html/write_data.html
--- lammps-23Jun17/doc/html/write_data.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/write_data.html	2017-07-06 13:00:41.516377755 -0600
@@ -243,7 +243,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/write_dump.html lammps-6Jul17/doc/html/write_dump.html
--- lammps-23Jun17/doc/html/write_dump.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/write_dump.html	2017-07-06 13:00:41.517377785 -0600
@@ -243,7 +243,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/html/write_restart.html lammps-6Jul17/doc/html/write_restart.html
--- lammps-23Jun17/doc/html/write_restart.html	2017-06-23 17:49:38.000000000 -0600
+++ lammps-6Jul17/doc/html/write_restart.html	2017-07-06 13:00:41.523377963 -0600
@@ -242,7 +242,7 @@
       <div class="wy-nav-content">
         <div class="rst-content">
           <div role="navigation" aria-label="breadcrumbs navigation">
-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 23 Jun 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 6 Jul 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-23Jun17/doc/src/Manual.txt lammps-6Jul17/doc/src/Manual.txt
--- lammps-23Jun17/doc/src/Manual.txt	2017-06-23 16:55:07.000000000 -0600
+++ lammps-6Jul17/doc/src/Manual.txt	2017-07-06 12:56:11.181359000 -0600
@@ -1,7 +1,7 @@
 <!-- HTML_ONLY -->
 <HEAD>
 <TITLE>LAMMPS Users Manual</TITLE>
-<META NAME="docnumber" CONTENT="23 Jun 2017 version">
+<META NAME="docnumber" CONTENT="6 Jul 2017 version">
 <META NAME="author" CONTENT="http://lammps.sandia.gov - Sandia National Laboratories">
 <META NAME="copyright" CONTENT="Copyright (2003) Sandia Corporation.  This software and manual is distributed under the GNU General Public License.">
 </HEAD>
@@ -21,7 +21,7 @@
 <H1></H1>
 
 LAMMPS Documentation :c,h3
-23 Jun 2017 version :c,h4
+6 Jul 2017 version :c,h4
 
 Version info: :h4
 
diff -Naur lammps-23Jun17/doc/src/Section_commands.txt lammps-6Jul17/doc/src/Section_commands.txt
--- lammps-23Jun17/doc/src/Section_commands.txt	2017-06-22 07:57:19.000000000 -0600
+++ lammps-6Jul17/doc/src/Section_commands.txt	2017-07-03 12:30:34.524715000 -0600
@@ -1039,6 +1039,7 @@
 "lj/sdk (gko)"_pair_sdk.html,
 "lj/sdk/coul/long (go)"_pair_sdk.html,
 "lj/sdk/coul/msm (o)"_pair_sdk.html,
+"meam/c"_pair_meam.html,
 "meam/spline (o)"_pair_meam_spline.html,
 "meam/sw/spline"_pair_meam_sw_spline.html,
 "mgpt"_pair_mgpt.html,
diff -Naur lammps-23Jun17/doc/src/Section_errors.txt lammps-6Jul17/doc/src/Section_errors.txt
--- lammps-23Jun17/doc/src/Section_errors.txt	2017-06-15 09:50:15.000000000 -0600
+++ lammps-6Jul17/doc/src/Section_errors.txt	2017-06-30 11:52:01.504843000 -0600
@@ -4696,9 +4696,9 @@
 
 {Fix bond/create induced too many angles/dihedrals/impropers per atom} :dt
 
-See the read_data command for info on setting the "extra angle per
-atom", etc header values to allow for additional angles, etc to be
-formed. :dd
+See the read_data command for info on using the "extra/angle/per/atom",
+(or dihedral, improper) keywords to allow for additional
+angles, dihedrals, and impropers to be formed. :dd
 
 {Fix bond/create needs ghost atoms from further away} :dt
 
@@ -7876,18 +7876,20 @@
 
 {New bond exceeded bonds per atom in create_bonds} :dt
 
-See the read_data command for info on setting the "extra bond per
-atom" header value to allow for additional bonds to be formed. :dd
+See the read_data command for info on using the "extra/bond/per/atom"
+keyword to allow for additional bonds to be formed
 
 {New bond exceeded bonds per atom in fix bond/create} :dt
 
-See the read_data command for info on setting the "extra bond per
-atom" header value to allow for additional bonds to be formed. :dd
+See the read_data command for info on using the "extra/bond/per/atom"
+keyword to allow for additional bonds to be formed :dd
 
 {New bond exceeded special list size in fix bond/create} :dt
 
-See the special_bonds extra command for info on how to leave space in
-the special bonds list to allow for additional bonds to be formed. :dd
+See the "special_bonds extra" command
+(or the "read_data extra/special/per/atom" command)
+for info on how to leave space in the special bonds
+list to allow for additional bonds to be formed. :dd
 
 {Newton bond change after simulation box is defined} :dt
 
@@ -9664,9 +9666,10 @@
 
 {Special list size exceeded in fix bond/create} :dt
 
-See the read_data command for info on setting the "extra special per
-atom" header value to allow for additional special values to be
-stored. :dd
+See the special_bonds extra command
+(or the read_data extra/special/per/atom command)
+for info on how to leave space in the special bonds
+list to allow for additional bonds to be formed. :dd
 
 {Specified processors != physical processors} :dt
 
@@ -9683,23 +9686,23 @@
 
 {Subsequent read data induced too many angles per atom} :dt
 
-See the create_box extra/angle/per/atom or read_data "extra angle per
-atom" header value to set this limit larger. :dd
+See the extra/angle/per/atom keyword for the create_box
+or the read_data command to set this limit larger :dd
 
 {Subsequent read data induced too many bonds per atom} :dt
 
-See the create_box extra/bond/per/atom or read_data "extra bond per
-atom" header value to set this limit larger. :dd
+See the extra/bond/per/atom keyword for the create_box
+or the read_data command to set this limit larger :dd
 
 {Subsequent read data induced too many dihedrals per atom} :dt
 
-See the create_box extra/dihedral/per/atom or read_data "extra
-dihedral per atom" header value to set this limit larger. :dd
+See the extra/dihedral/per/atom keyword for the create_box
+or the read_data command to set this limit larger :dd
 
 {Subsequent read data induced too many impropers per atom} :dt
 
-See the create_box extra/improper/per/atom or read_data "extra
-improper per atom" header value to set this limit larger. :dd
+See the extra/improper/per/atom keyword for the create_box
+or the read_data command to set this limit larger :dd
 
 {Substitution for illegal variable} :dt
 
diff -Naur lammps-23Jun17/doc/src/Section_packages.txt lammps-6Jul17/doc/src/Section_packages.txt
--- lammps-23Jun17/doc/src/Section_packages.txt	2017-06-22 07:57:19.000000000 -0600
+++ lammps-6Jul17/doc/src/Section_packages.txt	2017-07-03 14:10:20.316443000 -0600
@@ -121,6 +121,7 @@
 "USER-INTEL"_#USER-INTEL, optimized Intel CPU and KNL styles,"Section 5.3.2"_accelerate_intel.html, WWW bench, -
 "USER-LB"_#USER-LB, Lattice Boltzmann fluid,"fix lb/fluid"_fix_lb_fluid.html, USER/lb, -
 "USER-MANIFOLD"_#USER-MANIFOLD, motion on 2d surfaces,"fix manifoldforce"_fix_manifoldforce.html, USER/manifold, -
+"USER-MEAMC"_#USER-MEAMC, modified EAM potential (C++), "pair_style meam/c"_pair_meam.html, meam, -
 "USER-MGPT"_#USER-MGPT, fast MGPT multi-ion potentials, "pair_style mgpt"_pair_mgpt.html, USER/mgpt, -
 "USER-MISC"_#USER-MISC, single-file contributions, USER-MISC/README, USER/misc, -
 "USER-MOLFILE"_#USER-MOLFILE, "VMD"_vmd_home molfile plug-ins,"dump molfile"_dump_molfile.html, -, ext
@@ -2051,6 +2052,37 @@
 
 :line
 
+USER-MEAMC package :link(USER-MEAMC),h4
+
+[Contents:]
+
+A pair style for the modified embedded atom (MEAM) potential
+translated from the Fortran version in the "MEAM"_MEAM package
+to plain C++. In contrast to the MEAM package, no library
+needs to be compiled and the pair style can be instantiated
+multiple times.
+
+[Author:] Sebastian Huetter, (Otto-von-Guericke University Magdeburg)
+based on the Fortran version of Greg Wagner (Northwestern U) while at
+Sandia.
+
+[Install or un-install:]
+  
+make yes-user-meamc
+make machine :pre
+ 
+make no-user-meamc
+make machine :pre
+ 
+[Supporting info:]
+
+src/USER-MEAMC: filenames -> commands
+src/USER-MEAMC/README
+"pair meam/c"_pair_meam.html
+examples/meam :ul
+
+:line
+
 USER-MOLFILE package :link(USER-MOLFILE),h4
 
 [Contents:]
diff -Naur lammps-23Jun17/doc/src/accelerate_intel.txt lammps-6Jul17/doc/src/accelerate_intel.txt
--- lammps-23Jun17/doc/src/accelerate_intel.txt	2017-06-22 07:57:19.000000000 -0600
+++ lammps-6Jul17/doc/src/accelerate_intel.txt	2017-07-03 08:52:51.569414000 -0600
@@ -106,6 +106,8 @@
 For some of the simple 2-body potentials without long-range
 electrostatics, performance and scalability can be better with
 the "newton off" setting added to the input script :l
+For simulations on higher node counts, add "processors * * * grid 
+numa" to the beginning of the input script for better scalability :l
 If using {kspace_style pppm} in the input script, add
 "kspace_modify diff ad" for better performance :l
 :ule
@@ -392,6 +394,10 @@
 input script to automatically append the "omp" suffix to styles when
 USER-INTEL styles are not available.
 
+NOTE: For simulations on higher node counts, add "processors * * * 
+grid numa"_processors.html" to the beginning of the input script for
+better scalability.
+
 When running on many nodes, performance might be better when using
 fewer OpenMP threads and more MPI tasks. This will depend on the
 simulation and the machine. Using the "verlet/split"_run_style.html
diff -Naur lammps-23Jun17/doc/src/create_bonds.txt lammps-6Jul17/doc/src/create_bonds.txt
--- lammps-23Jun17/doc/src/create_bonds.txt	2017-06-23 17:09:30.000000000 -0600
+++ lammps-6Jul17/doc/src/create_bonds.txt	2017-07-03 08:42:50.576833000 -0600
@@ -10,53 +10,93 @@
 
 [Syntax:]
 
-create_bonds group-ID group2-ID btype rmin rmax :pre
+create_bonds style args ... keyword value ... :pre
 
-group-ID = ID of first group
-group2-ID = ID of second group, bonds will be between atoms in the 2 groups
-btype = bond type of created bonds
-rmin = minimum distance between pair of atoms to bond together
-rmax = minimum distance between pair of atoms to bond together :ul
+style = {many} or {single/bond} or {single/angle} or {single/dihedral} :ule,l
+  {many} args = group-ID group2-ID btype rmin rmax
+    group-ID = ID of first group
+    group2-ID = ID of second group, bonds will be between atoms in the 2 groups
+    btype = bond type of created bonds
+    rmin = minimum distance between pair of atoms to bond together
+    rmax = minimum distance between pair of atoms to bond together
+  {single/bond} args = btype batom1 batom2
+    btype = bond type of new bond
+    batom1,batom2 = atom IDs for two atoms in bond
+  {single/angle} args = atype aatom1 aatom2 aatom3
+    atype = bond type of new angle
+    aatom1,aatom2,aatom3 = atom IDs for three atoms in angle
+  {single/dihedral} args = dtype datom1 datom2 datom3 datom4
+    dtype = bond type of new dihedral
+    datom1,datom2,datom3,datom4 = atom IDs for four atoms in dihedral :pre
+zero or more keyword/value pairs may be appended :l
+keyword = {special} :l
+  {special} value = {yes} or {no} :pre
+:ule
 
 [Examples:]
 
-create_bonds all all 1 1.0 1.2
-create_bonds surf solvent 3 2.0 2.4 :pre
+create_bonds many all all 1 1.0 1.2
+create_bonds many surf solvent 3 2.0 2.4
+create_bond single/bond 1 1 2
+create_bond single/angle 5 52 98 107 special no :pre
 
 [Description:]
 
-Create bonds between pairs of atoms that meet specified distance
-criteria.  The bond interactions can then be computed during a
-simulation by the bond potential defined by the
-"bond_style"_bond_style.html and "bond_coeff"_bond_coeff.html
-commands.  This command is useful for adding bonds to a system,
-e.g. between nearest neighbors in a lattice of atoms, without having
-to enumerate all the bonds in the data file read by the
-"read_data"_read_data.html command.
-
-Note that the flexibility of this command is limited.  It can be used
-several times to create different types of bond at different
-distances.  But it cannot typically create all the bonds that would
-normally be defined in a complex system of molecules.  Also note that
-this command does not add any 3-body or 4-body interactions which,
-depending on your model, may be induced by added bonds,
-e.g. "angle"_angle_style.html, "dihedral"_dihedral_style.html, or
-"improper"_improper_style.html interactions.
-
-All created bonds will be between pairs of atoms I,J where I is in one
-of the two specified groups, and J is in the other.  The two groups
-can be the same, e.g. group "all".  The created bonds will be of bond
-type {btype}, where {btype} must be a value between 1 and the number
-of bond types defined.  This maximum value is set by the "bond types"
-field in the header of the data file read by the
-"read_data"_read_data.html command, or via the optional "bond/types"
-argument of the "create_box"_create_box.html command.
+Create bonds between pairs of atoms that meet a specified distance
+criteria.  Or create a single bond, angle, or dihedral between 2, 3,
+or 4 specified atoms.
+
+The new bond (angle, dihedral) interactions will then be computed
+during a simulation by the bond (angle, dihedral) potential defined by
+the "bond_style"_bond_style.html, "bond_coeff"_bond_coeff.html,
+"angle_style"_angle_style.html, "angle_coeff"_angle_coeff.html,
+"dihedral_style"_dihedral_style.html,
+"dihedral_coeff"_dihedral_coeff.html commands.
+
+The {many} style is useful for adding bonds to a system, e.g. between
+nearest neighbors in a lattice of atoms, without having to enumerate
+all the bonds in the data file read by the "read_data"_read_data.html
+command.
+
+The {single} styles are useful for adding bonds, angles, dihedrals
+to a system incrementally, then continuing a simulation.
+
+Note that this command does not auto-create any angle or dihedral
+interactions when a bond is added.  Nor does it auto-create any bonds
+when an angle or dihedral is added.  Or auto-create any angles when a
+dihedral is added.  Thus the flexibility of this command is limited.
+It can be used several times to create different types of bond at
+different distances.  But it cannot typically auto-create all the
+bonds or angles or dihedral that would normally be defined in a data
+file for a complex system of molecules.
+
+NOTE: If the system has no bonds (angles, dihedrals) to begin with, or
+if more bonds per atom are being added than currently exist, then you
+must insure that the number of bond types and the maximum number of
+bonds per atom are set to large enough values.  And similarly for
+angles and dihedrals.  Otherwise an error may occur when too many
+bonds (angles, dihedrals) are added to an atom.  If the
+"read_data"_read_data.html command is used to define the system, these
+parameters can be set via the "bond types" and "extra bond per atom"
+fields in the header section of the data file.  If the
+"create_box"_create_box.html command is used to define the system,
+these 2 parameters can be set via its optional "bond/types" and
+"extra/bond/per/atom" arguments.  And similarly for angles and
+dihedrals.  See the doc pages for these 2 commands for details.
+
+:line
+
+The {many} style will create bonds between pairs of atoms I,J where I
+is in one of the two specified groups, and J is in the other.  The two
+groups can be the same, e.g. group "all".  The created bonds will be
+of bond type {btype}, where {btype} must be a value between 1 and the
+number of bond types defined. 
 
 For a bond to be created, an I,J pair of atoms must be a distance D
 apart such that {rmin} <= D <= {rmax}.
 
-The following settings must have been made in an input
-script before this command is used:
+The following settings must have been made in an input script before
+this style is used:
 
 special_bonds weight for 1-2 interactions must be 0.0
 a "pair_style"_pair_style.html must be defined
@@ -69,8 +109,8 @@
 bonds.  The neighbor list for all atom type pairs must also extend to
 a distance that encompasses the {rmax} for new bonds to create.
 
-An additional requirement is that your system must be ready to perform
-a simulation.  This means, for example, that all
+An additional requirement for this style is that your system must be
+ready to perform a simulation.  This means, for example, that all
 "pair_style"_pair_style.html coefficients be set via the
 "pair_coeff"_pair_coeff.html command.  A "bond_style"_bond_style.html
 command and all bond coefficients must also be set, even if no bonds
@@ -83,17 +123,58 @@
 via the "kspace_style"_kspace_style.html command for your subsequent
 simulation.
 
-NOTE: If the system has no bonds to begin with, or if more bonds per
-atom are being added than currently exist, then you must insure that
-the number of bond types and the maximum number of bonds per atom are
-set to large enough values.  Otherwise an error may occur when too
-many bonds are added to an atom.  If the "read_data"_read_data.html
-command is used to define the system, these 2 parameters can be set
-via the "bond types" and "extra bond per atom" fields in the header
-section of the data file.  If the "create_box"_create_box.html command
-is used to define the system, these 2 parameters can be set via its
-optional "bond/types" and "extra/bond/per/atom" arguments.  See the
-doc pages for the 2 commands for details.
+:line
+
+The {single/bond} style creates a single bond of type {btype} between
+two atoms with IDs {batom1} and {batom2}.  {Btype} must be a value
+between 1 and the number of bond types defined.
+
+The {single/angle} style creates a single angle of type {atype}
+between three atoms with IDs {aatom1}, {aatom2}, and {aatom3}.  The
+ordering of the atoms is the same as in the {Angles} section of a data
+file read by the "read_data"_read_data command.  I.e. the 3 atoms are
+ordered linearly within the angle; the central atom is {aatom2}.
+{Atype} must be a value between 1 and the number of angle types
+defined.
+
+The {single/dihedral} style creates a single dihedral of type {btype}
+between two atoms with IDs {batom1} and {batom2}.  The ordering of the
+atoms is the same as in the {Dihedrals} section of a data file read by
+the "read_data"_read_data command.  I.e. the 4 atoms are ordered
+linearly within the dihedral.  {Dtype} must be a value between 1 and
+the number of dihedral types defined.
+
+:line
+
+The keyword {special} controls whether an internal list of special
+bonds is created after one or more bonds, or a single angle or
+dihedral is added to the system.
+
+The default value is {yes}.  A value of {no} cannot be used
+with the {many} style.
+
+This is an expensive operation since the bond topology for the system
+must be walked to find all 1-2, 1-3, 1-4 interactions to store in an
+internal list, which is used when pairwise interactions are weighted;
+see the "special_bonds"_special_bonds.html command for details.
+
+Thus if you are adding a few bonds or a large list of angles all at
+the same time, by using this command repeatedly, it is more efficient
+to only trigger the internal list to be created once, after the last
+bond (or angle, or dihedral) is added:
+
+create_bonds single/bond 5 52 98 special no
+create_bonds single/bond  5 73 74 special no
+...
+create_bonds single/bond 5 17 386 special no
+create_bonds single/bond 4 112 183 special yes :pre
+
+Note that you MUST insure the internal list is re-built after the last
+bond (angle, dihedral) is added, before performing a simulation.
+Otherwise pairwise interactions will not be properly excluded or
+weighted.  LAMMPS does NOT check that you have done this correctly.
+
+:line
 
 [Restrictions:]
 
@@ -105,4 +186,6 @@
 
 "create_atoms"_create_atoms.html, "delete_bonds"_delete_bonds.html
 
-[Default:] none
+[Default:]
+
+The keyword default is special = yes.
diff -Naur lammps-23Jun17/doc/src/fix_msst.txt lammps-6Jul17/doc/src/fix_msst.txt
--- lammps-23Jun17/doc/src/fix_msst.txt	2016-10-06 15:50:57.000000000 -0600
+++ lammps-6Jul17/doc/src/fix_msst.txt	2017-07-05 09:59:35.881007000 -0600
@@ -17,19 +17,22 @@
 dir = {x} or {y} or {z} :l
 shockvel = shock velocity (strictly positive, distance/time units) :l
 zero or more keyword value pairs may be appended :l
-keyword = {q} or {mu} or {p0} or {v0} or {e0} or {tscale} :l
+keyword = {q} or {mu} or {p0} or {v0} or {e0} or {tscale} or {beta} or {dftb} :l
   {q} value = cell mass-like parameter (mass^2/distance^4 units)
   {mu} value = artificial viscosity (mass/length/time units)
   {p0} value = initial pressure in the shock equations (pressure units)
   {v0} value = initial simulation cell volume in the shock equations (distance^3 units)
   {e0} value = initial total energy (energy units)
-  {tscale} value = reduction in initial temperature (unitless fraction between 0.0 and 1.0) :pre
+  {tscale} value = reduction in initial temperature (unitless fraction between 0.0 and 1.0) 
+  {dftb} value = {yes} or {no} for whether using MSST in conjunction with DFTB+
+  {beta} value = scale factor on energy contribution of DFTB+ :pre
 :ule
 
 [Examples:]
 
 fix 1 all msst y 100.0 q 1.0e5 mu 1.0e5
-fix 2 all msst z 50.0 q 1.0e4 mu 1.0e4  v0 4.3419e+03 p0 3.7797e+03 e0 -9.72360e+02 tscale 0.01 :pre
+fix 2 all msst z 50.0 q 1.0e4 mu 1.0e4  v0 4.3419e+03 p0 3.7797e+03 e0 -9.72360e+02 tscale 0.01
+fix 1 all msst y 100.0 q 1.0e5 mu 1.0e5 dftb yes beta 0.5 :pre
 
 [Description:]
 
@@ -58,11 +61,11 @@
 symmetry to equilibrate to the shock Hugoniot and Rayleigh line more
 rapidly in such cases.
 
-{tscale} is a factor between 0 and 1 that determines what fraction of
-thermal kinetic energy is converted to compressive strain kinetic
-energy at the start of the simulation.  Setting this parameter to a
-non-zero value may assist in compression at the start of simulations
-where it is slow to occur.
+The keyword {tscale} is a factor between 0 and 1 that determines what
+fraction of thermal kinetic energy is converted to compressive strain
+kinetic energy at the start of the simulation.  Setting this parameter
+to a non-zero value may assist in compression at the start of
+simulations where it is slow to occur.
 
 If keywords {e0}, {p0},or {v0} are not supplied, these quantities will
 be calculated on the first step, after the energy specified by
@@ -77,17 +80,40 @@
 Parrinello-Rahman boundary conditions (tilted box) are supported by
 LAMMPS, but are not implemented for MSST.
 
-This fix computes a temperature and pressure each timestep. To do
-this, the fix creates its own computes of style "temp" and "pressure",
-as if these commands had been issued:
-
-compute fix-ID_temp group-ID temp
-compute fix-ID_press group-ID pressure fix-ID_temp :pre
+This fix computes a temperature and pressure and potential energy each
+timestep. To do this, the fix creates its own computes of style "temp"
+"pressure", and "pe", as if these commands had been issued:
+
+compute fix-ID_MSST_temp all temp
+compute fix-ID_MSST_press all pressure fix-ID_MSST_temp :pre
+compute fix-ID_MSST_pe all pe :pre
 
 See the "compute temp"_compute_temp.html and "compute
 pressure"_compute_pressure.html commands for details.  Note that the
-IDs of the new computes are the fix-ID + underscore + "temp" or fix_ID
-+ underscore + "press".  The group for the new computes is "all".
+IDs of the new computes are the fix-ID + "_MSST_temp" or "_MSST_press"
+or "_MSST_pe".  The group for the new computes is "all".
+
+:line
+
+The {dftb} and {beta} keywords are to allow this fix to be used when
+LAMMPS is being driven by DFTB+, a density-functional tight-binding
+code.
+
+If the keyword {dftb} is used with a value of {yes}, then the MSST
+equations are altered to account for an energy contribution compute by
+DFTB+.  In this case, you must define a "fix
+external"_fix_external.html command in your input script, which is
+used to callback to DFTB+ during the LAMMPS timestepping.  DFTB+ will
+communicate its info to LAMMPS via that fix.
+
+The keyword {beta} is a scale factor on the DFTB+ energy contribution.
+The value of {beta} must be between 0.0 and 1.0 inclusive.  A value of
+0.0 means no contribution, a value of 1.0 means a full contribution.
+
+(July 2017) More information about these keywords and the use of
+LAMMPS with DFTB+ will be added to the LAMMMPS documention soon.
+
+:line
 
 [Restart, fix_modify, output, run start/stop, minimize info:]
 
@@ -149,8 +175,9 @@
 
 [Default:]
 
-The keyword defaults are q = 10, mu = 0, tscale = 0.01. p0, v0, and e0
-are calculated on the first step.
+The keyword defaults are q = 10, mu = 0, tscale = 0.01, dftb = no,
+beta = 0.0.  Note that p0, v0, and e0 are calculated on the first
+timestep.
 
 :line
 
diff -Naur lammps-23Jun17/doc/src/pair_meam.txt lammps-6Jul17/doc/src/pair_meam.txt
--- lammps-23Jun17/doc/src/pair_meam.txt	2017-03-17 16:54:51.000000000 -0600
+++ lammps-6Jul17/doc/src/pair_meam.txt	2017-07-03 12:30:34.524715000 -0600
@@ -7,10 +7,13 @@
 :line
 
 pair_style meam command :h3
+pair_style meam/c command :h3
 
 [Syntax:]
 
-pair_style meam :pre
+pair_style style :pre
+
+style = {meam} or {meam/c}
 
 [Examples:]
 
@@ -30,7 +33,8 @@
 "EAM potentials"_pair_eam.html which adds angular forces.  It is
 thus suitable for modeling metals and alloys with fcc, bcc, hcp and
 diamond cubic structures, as well as covalently bonded materials like
-silicon and carbon.
+silicon and carbon. Style {meam/c} is a translation of the {meam} code
+from (mostly) Fortran to C++. It is functionally equivalent to {meam}.
 
 In the MEAM formulation, the total energy E of a system of atoms is
 given by:
@@ -331,10 +335,14 @@
 
 [Restrictions:]
 
-This style is part of the MEAM package.  It is only enabled if LAMMPS
+The {meam} style is part of the MEAM package.  It is only enabled if LAMMPS
 was built with that package, which also requires the MEAM library be
-built and linked with LAMMPS.  See the "Making
-LAMMPS"_Section_start.html#start_3 section for more info.
+built and linked with LAMMPS.
+The {meam/c} style is provided in the USER-MEAMC package. It is only enabled
+if LAMMPS was built with that package. In contrast to the {meam} style,
+{meam/c} does not require a separate library to be compiled and it can be
+instantiated multiple times in a "hybrid"_pair_hybrid.html pair style.
+See the "Making LAMMPS"_Section_start.html#start_3 section for more info.
 
 [Related commands:]
 
diff -Naur lammps-23Jun17/doc/src/pair_nb3b_harmonic.txt lammps-6Jul17/doc/src/pair_nb3b_harmonic.txt
--- lammps-23Jun17/doc/src/pair_nb3b_harmonic.txt	2016-11-04 11:01:14.000000000 -0600
+++ lammps-6Jul17/doc/src/pair_nb3b_harmonic.txt	2017-06-30 11:28:55.169850000 -0600
@@ -80,10 +80,12 @@
 then the entry is for the {K} and {theta_0} parameters (the cutoff in
 this case is irrelevant).
 
-It is {not} required that the potential file contain entries for all
-of the elements listed in the pair_coeff command.  It can also contain
-entries for additional elements not being used in a particular
-simulation; LAMMPS ignores those entries.
+It is required that the potential file contains entries for {all}
+permutations of the elements listed in the pair_coeff command.
+If certain combinations are not parameterized the corresponding
+parameters should be set to zero. The potential file can also
+contain entries for additional elements which are not used in
+a particular simulation; LAMMPS ignores those entries.
 
 :line
 
diff -Naur lammps-23Jun17/doc/src/read_data.txt lammps-6Jul17/doc/src/read_data.txt
--- lammps-23Jun17/doc/src/read_data.txt	2017-03-20 10:34:35.000000000 -0600
+++ lammps-6Jul17/doc/src/read_data.txt	2017-07-03 08:43:39.570759000 -0600
@@ -14,7 +14,7 @@
 
 file = name of data file to read in :ulb,l
 zero or more keyword/arg pairs may be appended :l
-keyword = {add} or {offset} or {shift} or {extra/atom/types} or {extra/bond/types} or {extra/angle/types} or {extra/dihedral/types} or {extra/improper/types} or {group} or {nocoeff} or {fix} :l
+keyword = {add} or {offset} or {shift} or {extra/atom/types} or {extra/bond/types} or {extra/angle/types} or {extra/dihedral/types} or {extra/improper/types} or {extra/bond/per/atom} or {extra/angle/per/atom} or {extra/dihedral/per/atom} or {extra/improper/per/atom} or {group} or {nocoeff} or {fix} :l
   {add} arg = {append} or {Nstart} or {merge}
     append = add new atoms with IDs appended to current IDs
     Nstart = add new atoms with IDs starting with Nstart
@@ -32,6 +32,11 @@
   {extra/angle/types} arg = # of extra angle types
   {extra/dihedral/types} arg = # of extra dihedral types
   {extra/improper/types} arg = # of extra improper types
+  {extra/bond/per/atom} arg = leave space for this many new bonds per atom
+  {extra/angle/per/atom} arg = leave space for this many new angles per atom
+  {extra/dihedral/per/atom} arg = leave space for this many new dihedrals per atom
+  {extra/improper/per/atom} arg = leave space for this many new impropers per atom
+  {extra/special/per/atom} arg = leave space for extra 1-2,1-3,1-4 interactions per atom
   {group} args = groupID
     groupID = add atoms in data file to this group
   {nocoeff} = ignore force field parameters
@@ -264,11 +269,11 @@
 {angle types} = # of angle types in system
 {dihedral types} = # of dihedral types in system
 {improper types} = # of improper types in system
-{extra bond per atom} = leave space for this many new bonds per atom
-{extra angle per atom} = leave space for this many new angles per atom
-{extra dihedral per atom} = leave space for this many new dihedrals per atom
-{extra improper per atom} = leave space for this many new impropers per atom
-{extra special per atom} = leave space for this many new special bonds per atom
+{extra bond per atom} = leave space for this many new bonds per atom (deprecated, use extra/bond/per/atom keyword)
+{extra angle per atom} = leave space for this many new angles per atom (deprecated, use extra/angle/per/atom keyword)
+{extra dihedral per atom} = leave space for this many new dihedrals per atom (deprecated, use extra/dihedral/per/atom keyword)
+{extra improper per atom} = leave space for this many new impropers per atom (deprecated, use extra/improper/per/atom keyword)
+{extra special per atom} = leave space for this many new special bonds per atom (deprecated, use extra/special/per/atom keyword)
 {ellipsoids} = # of ellipsoids in system
 {lines} = # of line segments in system
 {triangles} = # of triangles in system
@@ -367,25 +372,32 @@
 The "extra bond per atom" setting (angle, dihedral, improper) is only
 needed if new bonds (angles, dihedrals, impropers) will be added to
 the system when a simulation runs, e.g. by using the "fix
-bond/create"_fix_bond_create.html command.  This will pre-allocate
-space in LAMMPS data structures for storing the new bonds (angles,
+bond/create"_fix_bond_create.html command. Using this header flag
+is deprecated; please use the {extra/bond/per/atom} keyword (and
+correspondingly for angles, dihedrals and impropers) in the
+read_data command instead. Either will pre-allocate space in LAMMPS
+ data structures for storing the new bonds (angles,
 dihedrals, impropers).
 
 The "extra special per atom" setting is typically only needed if new
 bonds/angles/etc will be added to the system, e.g. by using the "fix
 bond/create"_fix_bond_create.html command.  Or if entire new molecules
-will be added to the system, e.g. by using the "fix
-deposit"_fix_deposit.html or "fix pour"_fix_pour.html commands, which
-will have more special 1-2,1-3,1-4 neighbors than any other molecules
-defined in the data file.  Using this setting will pre-allocate space
-in the LAMMPS data structures for storing these neighbors.  See the
+will be added to the system, e.g. by using the
+"fix deposit"_fix_deposit.html or "fix pour"_fix_pour.html commands,
+which will have more special 1-2,1-3,1-4 neighbors than any other
+molecules defined in the data file.  Using this header flag is
+deprecated; please use the {extra/special/per/atom} keyword instead.
+Using this setting will pre-allocate space in the LAMMPS data
+structures for storing these neighbors.  See the
 "special_bonds"_special_bonds.html and "molecule"_molecule.html doc
 pages for more discussion of 1-2,1-3,1-4 neighbors.
 
-NOTE: All of the "extra" settings are only used if they appear in the
-first data file read; see the description of the {add} keyword above
-for reading multiple data files.  If they appear in later data files,
-they are ignored.
+NOTE: All of the "extra" settings are only applied in the first data
+file read and when no simulation box has yet been created; as soon as
+the simulation box is created (and read_data implies that), these
+settings are {locked} and cannot be changed anymore. Please see the
+description of the {add} keyword above for reading multiple data files.
+If they appear in later data files, they are ignored.
 
 The "ellipsoids" and "lines" and "triangles" and "bodies" settings are
 only used with "atom_style ellipsoid or line or tri or
diff -Naur lammps-23Jun17/examples/COUPLE/README lammps-6Jul17/examples/COUPLE/README
--- lammps-23Jun17/examples/COUPLE/README	2015-09-24 16:48:28.000000000 -0600
+++ lammps-6Jul17/examples/COUPLE/README	2017-07-03 14:17:28.032942000 -0600
@@ -41,5 +41,8 @@
  		      can be called from Fortran
 fortran2            a more sophisticated wrapper on the LAMMPS library API that
  		      can be called from Fortran
+fortran3            wrapper written by Nir Goldman (LLNL), as an
+                      extension to fortran2, used for calling LAMMPS
+                      from Fortran DFTB+ code
 
-Each sub-directory has its own README.
+Each sub-directory has its own README with more details.
diff -Naur lammps-23Jun17/examples/COUPLE/fortran3/LAMMPS-wrapper.cpp lammps-6Jul17/examples/COUPLE/fortran3/LAMMPS-wrapper.cpp
--- lammps-23Jun17/examples/COUPLE/fortran3/LAMMPS-wrapper.cpp	1969-12-31 17:00:00.000000000 -0700
+++ lammps-6Jul17/examples/COUPLE/fortran3/LAMMPS-wrapper.cpp	2017-07-03 14:17:33.079849000 -0600
@@ -0,0 +1,236 @@
+/* -----------------------------------------------------------------------
+    LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+    www.cs.sandia.gov/~sjplimp/lammps.html
+    Steve Plimpton, sjplimp@sandia.gov, Sandia National Laboratories
+ 
+    Copyright (2003) Sandia Corporation.  Under the terms of Contract
+    DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+    certain rights in this software.  This software is distributed under 
+    the GNU General Public License.
+ 
+    See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+/* ------------------------------------------------------------------------
+    Contributing author:  Karl D. Hammond <karlh@ugcs.caltech.edu>
+                          University of Tennessee, Knoxville (USA), 2012
+------------------------------------------------------------------------- */
+
+/* This is set of "wrapper" functions to assist LAMMPS.F90, which itself
+   provides a (I hope) robust Fortran interface to library.cpp and
+   library.h.  All functions herein COULD be added to library.cpp instead of
+   including this as a separate file. See the README for instructions. */
+
+#include <mpi.h>
+#include "LAMMPS-wrapper.h"
+#include <library.h>
+#include <lammps.h>
+#include <atom.h>
+#include <fix.h>
+#include <compute.h>
+#include <modify.h>
+#include <error.h>
+#include <cstdlib>
+
+using namespace LAMMPS_NS;
+
+void lammps_open_fortran_wrapper (int argc, char **argv,
+      MPI_Fint communicator, void **ptr)
+{
+   MPI_Comm C_communicator = MPI_Comm_f2c (communicator);
+   lammps_open (argc, argv, C_communicator, ptr);
+}
+
+int lammps_get_ntypes (void *ptr)
+{
+  class LAMMPS *lmp = (class LAMMPS *) ptr;
+  int ntypes = lmp->atom->ntypes;
+  return ntypes;
+}
+
+void lammps_error_all (void *ptr, const char *file, int line, const char *str)
+{
+   class LAMMPS *lmp = (class LAMMPS *) ptr;
+   lmp->error->all (file, line, str);
+}
+
+int lammps_extract_compute_vectorsize (void *ptr, char *id, int style)
+{
+   class LAMMPS *lmp = (class LAMMPS *) ptr;
+   int icompute = lmp->modify->find_compute(id);
+   if ( icompute < 0 ) return 0;
+   class Compute *compute = lmp->modify->compute[icompute];
+
+   if ( style == 0 )
+   {
+      if ( !compute->vector_flag )
+         return 0;
+      else
+         return compute->size_vector;
+   }
+   else if ( style == 1 )
+   {
+      return lammps_get_natoms (ptr);
+   }
+   else if ( style == 2 )
+   {
+      if ( !compute->local_flag )
+         return 0;
+      else
+         return compute->size_local_rows;
+   }
+   else
+      return 0;
+}
+
+void lammps_extract_compute_arraysize (void *ptr, char *id, int style,
+      int *nrows, int *ncols)
+{
+   class LAMMPS *lmp = (class LAMMPS *) ptr;
+   int icompute = lmp->modify->find_compute(id);
+   if ( icompute < 0 )
+   {
+      *nrows = 0;
+      *ncols = 0;
+   }
+   class Compute *compute = lmp->modify->compute[icompute];
+
+   if ( style == 0 )
+   {
+      if ( !compute->array_flag )
+      {
+         *nrows = 0;
+         *ncols = 0;
+      }
+      else
+      {
+         *nrows = compute->size_array_rows;
+         *ncols = compute->size_array_cols;
+      }
+   }
+   else if ( style == 1 )
+   {
+      if ( !compute->peratom_flag )
+      {
+         *nrows = 0;
+         *ncols = 0;
+      }
+      else
+      {
+         *nrows = lammps_get_natoms (ptr);
+         *ncols = compute->size_peratom_cols;
+      }
+   }
+   else if ( style == 2 )
+   {
+      if ( !compute->local_flag )
+      {
+         *nrows = 0;
+         *ncols = 0;
+      }
+      else
+      {
+         *nrows = compute->size_local_rows;
+         *ncols = compute->size_local_cols;
+      }
+   }
+   else
+   {
+      *nrows = 0;
+      *ncols = 0;
+   }
+
+   return;
+}
+
+int lammps_extract_fix_vectorsize (void *ptr, char *id, int style)
+{
+   class LAMMPS *lmp = (class LAMMPS *) ptr;
+   int ifix = lmp->modify->find_fix(id);
+   if ( ifix < 0 ) return 0;
+   class Fix *fix = lmp->modify->fix[ifix];
+
+   if ( style == 0 )
+   {
+      if ( !fix->vector_flag )
+         return 0;
+      else
+         return fix->size_vector;
+   }
+   else if ( style == 1 )
+   {
+      return lammps_get_natoms (ptr);
+   }
+   else if ( style == 2 )
+   {
+      if ( !fix->local_flag )
+         return 0;
+      else
+         return fix->size_local_rows;
+   }
+   else
+      return 0;
+}
+
+void lammps_extract_fix_arraysize (void *ptr, char *id, int style,
+      int *nrows, int *ncols)
+{
+   class LAMMPS *lmp = (class LAMMPS *) ptr;
+   int ifix = lmp->modify->find_fix(id);
+   if ( ifix < 0 )
+   {
+      *nrows = 0;
+      *ncols = 0;
+   }
+   class Fix *fix = lmp->modify->fix[ifix];
+
+   if ( style == 0 )
+   {
+      if ( !fix->array_flag )
+      {
+         *nrows = 0;
+         *ncols = 0;
+      }
+      else
+      {
+         *nrows = fix->size_array_rows;
+         *ncols = fix->size_array_cols;
+      }
+   }
+   else if ( style == 1 )
+   {
+      if ( !fix->peratom_flag )
+      {
+         *nrows = 0;
+         *ncols = 0;
+      }
+      else
+      {
+         *nrows = lammps_get_natoms (ptr);
+         *ncols = fix->size_peratom_cols;
+      }
+   }
+   else if ( style == 2 )
+   {
+      if ( !fix->local_flag )
+      {
+         *nrows = 0;
+         *ncols = 0;
+      }
+      else
+      {
+         *nrows = fix->size_local_rows;
+         *ncols = fix->size_local_cols;
+      }
+   }
+   else
+   {
+      *nrows = 0;
+      *ncols = 0;
+   }
+
+   return;
+
+}
+
+/* vim: set ts=3 sts=3 expandtab: */
diff -Naur lammps-23Jun17/examples/COUPLE/fortran3/LAMMPS-wrapper.h lammps-6Jul17/examples/COUPLE/fortran3/LAMMPS-wrapper.h
--- lammps-23Jun17/examples/COUPLE/fortran3/LAMMPS-wrapper.h	1969-12-31 17:00:00.000000000 -0700
+++ lammps-6Jul17/examples/COUPLE/fortran3/LAMMPS-wrapper.h	2017-07-03 14:17:33.079849000 -0600
@@ -0,0 +1,40 @@
+/* -----------------------------------------------------------------------
+    LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+    www.cs.sandia.gov/~sjplimp/lammps.html
+    Steve Plimpton, sjplimp@sandia.gov, Sandia National Laboratories
+ 
+    Copyright (2003) Sandia Corporation.  Under the terms of Contract
+    DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+    certain rights in this software.  This software is distributed under 
+    the GNU General Public License.
+ 
+    See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+/* ------------------------------------------------------------------------
+    Contributing author:  Karl D. Hammond <karlh@ugcs.caltech.edu>
+                          University of Tennessee, Knoxville (USA), 2012
+------------------------------------------------------------------------- */
+
+/* This is set of "wrapper" functions to assist LAMMPS.F90, which itself
+   provides a (I hope) robust Fortran interface to library.cpp and
+   library.h.  All prototypes herein COULD be added to library.h instead of
+   including this as a separate file. See the README for instructions. */
+#ifdef __cplusplus
+extern "C" {
+#endif
+
+/* Prototypes for auxiliary functions */
+void lammps_open_fortran_wrapper (int, char**, MPI_Fint, void**);
+int lammps_get_ntypes (void*);
+int lammps_extract_compute_vectorsize (void*, char*, int);
+void lammps_extract_compute_arraysize (void*, char*, int, int*, int*);
+int lammps_extract_fix_vectorsize (void*, char*, int);
+void lammps_extract_fix_arraysize (void*, char*, int, int*, int*);
+void lammps_error_all (void*, const char*, int, const char*);
+
+#ifdef __cplusplus
+}
+#endif
+
+/* vim: set ts=3 sts=3 expandtab: */
diff -Naur lammps-23Jun17/examples/COUPLE/fortran3/LAMMPS-wrapper2.cpp lammps-6Jul17/examples/COUPLE/fortran3/LAMMPS-wrapper2.cpp
--- lammps-23Jun17/examples/COUPLE/fortran3/LAMMPS-wrapper2.cpp	1969-12-31 17:00:00.000000000 -0700
+++ lammps-6Jul17/examples/COUPLE/fortran3/LAMMPS-wrapper2.cpp	2017-07-03 14:17:33.079849000 -0600
@@ -0,0 +1,57 @@
+/* -----------------------------------------------------------------------
+    LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+    www.cs.sandia.gov/~sjplimp/lammps.html
+    Steve Plimpton, sjplimp@sandia.gov, Sandia National Laboratories
+ 
+    Copyright (2003) Sandia Corporation.  Under the terms of Contract
+    DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+    certain rights in this software.  This software is distributed under 
+    the GNU General Public License.
+ 
+    See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+/* ------------------------------------------------------------------------
+    Contributing author:  Karl D. Hammond <karlh@ugcs.caltech.edu>
+                          University of Tennessee, Knoxville (USA), 2012
+------------------------------------------------------------------------- */
+
+/* This is set of "wrapper" functions to assist LAMMPS.F90, which itself
+   provides a (I hope) robust Fortran interface to library.cpp and
+   library.h.  All functions herein COULD be added to library.cpp instead of
+   including this as a separate file. See the README for instructions. */
+
+#include <mpi.h>
+#include "LAMMPS-wrapper2.h"
+#include <library.h>
+#include <lammps.h>
+#include <atom.h>
+#include <input.h>
+#include <modify.h>
+#include <fix.h>
+#include <fix_external.h>
+#include <compute.h>
+#include <modify.h>
+#include <error.h>
+#include <cstdlib>
+
+using namespace LAMMPS_NS;
+
+extern "C" void f_callback(void *, bigint, int, tagint *, double **, double **);
+
+void lammps_set_callback (void *ptr) {
+  class LAMMPS *lmp = (class LAMMPS *) ptr;
+  int ifix = lmp->modify->find_fix_by_style("external");
+  FixExternal *fix = (FixExternal *) lmp->modify->fix[ifix];
+  fix->set_callback(f_callback, ptr);
+  return;
+}
+
+void lammps_set_user_energy (void *ptr, double energy) {
+  class LAMMPS *lmp = (class LAMMPS *) ptr;
+  int ifix = lmp->modify->find_fix_by_style("external");
+  FixExternal *fix = (FixExternal *) lmp->modify->fix[ifix];
+  fix->set_energy(energy);
+  return;
+}
+
diff -Naur lammps-23Jun17/examples/COUPLE/fortran3/LAMMPS-wrapper2.h lammps-6Jul17/examples/COUPLE/fortran3/LAMMPS-wrapper2.h
--- lammps-23Jun17/examples/COUPLE/fortran3/LAMMPS-wrapper2.h	1969-12-31 17:00:00.000000000 -0700
+++ lammps-6Jul17/examples/COUPLE/fortran3/LAMMPS-wrapper2.h	2017-07-03 14:17:33.079849000 -0600
@@ -0,0 +1,34 @@
+/* -----------------------------------------------------------------------
+    LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+    www.cs.sandia.gov/~sjplimp/lammps.html
+    Steve Plimpton, sjplimp@sandia.gov, Sandia National Laboratories
+ 
+    Copyright (2003) Sandia Corporation.  Under the terms of Contract
+    DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+    certain rights in this software.  This software is distributed under 
+    the GNU General Public License.
+ 
+    See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+/* ------------------------------------------------------------------------
+    Contributing author:  Nir Goldman, ngoldman@llnl.gov, Oct. 19th, 2016
+------------------------------------------------------------------------- */
+
+/* This is set of "wrapper" functions to assist LAMMPS.F90, which itself
+   provides a (I hope) robust Fortran interface to library.cpp and
+   library.h.  All prototypes herein COULD be added to library.h instead of
+   including this as a separate file. See the README for instructions. */
+#ifdef __cplusplus
+extern "C" {
+#endif
+
+/* Prototypes for auxiliary functions */
+void lammps_set_callback (void *); 
+void lammps_set_user_energy (void*, double); 
+
+#ifdef __cplusplus
+}
+#endif
+
+/* vim: set ts=3 sts=3 expandtab: */
diff -Naur lammps-23Jun17/examples/COUPLE/fortran3/LAMMPS.F90 lammps-6Jul17/examples/COUPLE/fortran3/LAMMPS.F90
--- lammps-23Jun17/examples/COUPLE/fortran3/LAMMPS.F90	1969-12-31 17:00:00.000000000 -0700
+++ lammps-6Jul17/examples/COUPLE/fortran3/LAMMPS.F90	2017-07-03 14:17:33.079849000 -0600
@@ -0,0 +1,956 @@
+!! -----------------------------------------------------------------------
+!   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+!   www.cs.sandia.gov/~sjplimp/lammps.html
+!   Steve Plimpton, sjplimp@sandia.gov, Sandia National Laboratories
+!
+!   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+!   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+!   certain rights in this software.  This software is distributed under 
+!   the GNU General Public License.
+!
+!   See the README file in the top-level LAMMPS directory.
+!--------------------------------------------------------------------------
+
+!! ------------------------------------------------------------------------
+!   Contributing author:  Karl D. Hammond <karlh@ugcs.caltech.edu>
+!                         University of Tennessee, Knoxville (USA), 2012
+!--------------------------------------------------------------------------
+
+!! LAMMPS, a Fortran 2003 module containing an interface between Fortran
+!! programs and the C-style functions in library.cpp that ship with LAMMPS.
+!! This file should be accompanied by LAMMPS-wrapper.cpp and LAMMPS-wrapper.h,
+!! which define wrapper functions that ease portability and enforce array
+!! dimensions.
+!!
+!! Everything in this module should be 100% portable by way of Fortran 2003's
+!! ISO_C_BINDING intrinsic module.  See the README for instructions for
+!! compilation and use.
+!!
+!! Here are the PUBLIC functions and subroutines included in this module.
+!!    subroutine lammps_open (command_line, communicator, ptr)
+!!    subroutine lammps_open_no_mpi (command_line, ptr)
+!!    subroutine lammps_close (ptr)
+!!    subroutine lammps_file (ptr, str)
+!!    subroutine lammps_command (ptr, str)
+!!    subroutine lammps_free (ptr)
+!!    subroutine lammps_extract_global (global, ptr, name)
+!!    subroutine lammps_extract_atom (atom, ptr, name)
+!!    subroutine lammps_extract_fix (fix, ptr, id, style, type, i, j)
+!!    subroutine lammps_extract_compute (compute, ptr, id, style, type)
+!!    subroutine lammps_extract_variable (variable, ptr, name, group)
+!!    function lammps_get_natoms (ptr)
+!!    subroutine lammps_gather_atoms (ptr, name, count, data)
+!!    subroutine lammps_scatter_atoms (ptr, name, data)
+
+#define FLERR __FILE__,__LINE__
+! The above line allows for similar error checking as is done with standard
+! LAMMPS files.
+
+module LAMMPS
+
+   use, intrinsic :: ISO_C_binding, only : C_double, C_int, C_ptr, C_char, &
+      C_NULL_CHAR, C_loc, C_F_pointer, lammps_instance => C_ptr
+   implicit none
+   private
+   public :: lammps_open, lammps_open_no_mpi, lammps_close, lammps_file, &
+      lammps_command, lammps_free, lammps_extract_global, &
+      lammps_extract_atom, lammps_extract_compute, lammps_extract_fix, &
+      lammps_extract_variable, lammps_get_natoms, lammps_gather_atoms, &
+      lammps_scatter_atoms, lammps_set_callback, lammps_set_user_energy
+   public :: lammps_instance, C_ptr, C_double, C_int
+
+   !! Functions supplemental to the prototypes in library.h. {{{1
+   !! The function definitions (in C++) are contained in LAMMPS-wrapper.cpp.
+   !! I would have written the first in Fortran, but the MPI libraries (which
+   !! were written in C) have C-based functions to convert from Fortran MPI
+   !! handles to C MPI handles, and there is no Fortran equivalent for those
+   !! functions.
+   interface
+      subroutine lammps_open_wrapper (argc, argv, communicator, ptr) &
+      bind (C, name='lammps_open_fortran_wrapper')
+         import :: C_int, C_ptr
+         integer (C_int), value :: argc
+         type (C_ptr), dimension(*) :: argv
+         integer, value :: communicator
+         type (C_ptr) :: ptr
+      end subroutine lammps_open_wrapper
+      subroutine lammps_actual_error_all (ptr, file, line, str) &
+      bind (C, name='lammps_error_all')
+         import :: C_int, C_char, C_ptr
+         type (C_ptr), value :: ptr
+         character (kind=C_char), dimension(*), intent(in) :: file, str
+         integer (C_int), value :: line
+      end subroutine lammps_actual_error_all
+      function lammps_get_ntypes (ptr) result (ntypes) &
+      bind (C, name='lammps_get_ntypes')
+         import :: C_int, C_ptr
+         type (C_ptr), value :: ptr
+         integer (C_int) :: ntypes
+      end function lammps_get_ntypes
+      function lammps_actual_extract_compute_vectorsize (ptr, id, style) &
+      result (vectorsize) bind (C, name='lammps_extract_compute_vectorsize')
+         import :: C_int, C_char, C_ptr
+         integer (C_int) :: vectorsize
+         type (C_ptr), value :: ptr
+         character (kind=C_char), dimension(*) :: id
+         integer (C_int), value :: style
+      end function lammps_actual_extract_compute_vectorsize
+      subroutine lammps_actual_extract_compute_arraysize (ptr, id, style, &
+            nrows, ncols) bind (C, name='lammps_extract_compute_arraysize')
+         import :: C_int, C_char, C_ptr
+         integer (C_int) :: arraysize
+         type (C_ptr), value :: ptr
+         character (kind=C_char), dimension(*) :: id
+         integer (C_int), value :: style
+         integer (C_int) :: nrows, ncols
+      end subroutine lammps_actual_extract_compute_arraysize
+      function lammps_actual_extract_fix_vectorsize (ptr, id, style) &
+      result (vectorsize) bind (C, name='lammps_extract_fix_vectorsize')
+         import :: C_int, C_char, C_ptr
+         integer (C_int) :: vectorsize
+         type (C_ptr), value :: ptr
+         character (kind=C_char), dimension(*) :: id
+         integer (C_int), value :: style
+      end function lammps_actual_extract_fix_vectorsize
+      subroutine lammps_actual_extract_fix_arraysize (ptr, id, style, &
+            nrows, ncols) bind (C, name='lammps_extract_fix_arraysize')
+         import :: C_int, C_char, C_ptr
+         type (C_ptr), value :: ptr
+         character (kind=C_char), dimension(*) :: id
+         integer (C_int), value :: style
+         integer (C_int) :: nrows, ncols
+      end subroutine lammps_actual_extract_fix_arraysize
+   end interface
+
+   !! Functions/subroutines defined in library.h and library.cpp {{{1
+   interface
+      subroutine lammps_actual_open_no_mpi (argc, argv, ptr) &
+      bind (C, name='lammps_open_no_mpi')
+         import :: C_int, C_ptr
+         integer (C_int), value :: argc
+         type (C_ptr), dimension(*) :: argv
+         type (C_ptr) :: ptr
+      end subroutine lammps_actual_open_no_mpi
+
+      subroutine lammps_close (ptr) bind (C, name='lammps_close')
+         import :: C_ptr
+         type (C_ptr), value :: ptr
+      end subroutine lammps_close
+
+      subroutine lammps_actual_file (ptr, str) bind (C, name='lammps_file')
+         import :: C_ptr, C_char
+         type (C_ptr), value :: ptr
+         character (kind=C_char), dimension(*) :: str
+      end subroutine lammps_actual_file
+
+      function lammps_actual_command (ptr, str) result (command) &
+      bind (C, name='lammps_command')
+         import :: C_ptr, C_char
+         type (C_ptr), value :: ptr
+         character (kind=C_char), dimension(*) :: str
+         type (C_ptr) :: command
+      end function lammps_actual_command
+
+      subroutine lammps_free (ptr) bind (C, name='lammps_free')
+         import :: C_ptr
+         type (C_ptr), value :: ptr
+      end subroutine lammps_free
+
+      function lammps_actual_extract_global (ptr, name) &
+      bind (C, name='lammps_extract_global') result (global)
+         import :: C_ptr, C_char
+         type (C_ptr), value :: ptr
+         character (kind=C_char), dimension(*) :: name
+         type (C_ptr) :: global
+      end function lammps_actual_extract_global
+
+      function lammps_actual_extract_atom (ptr, name) &
+      bind (C, name='lammps_extract_atom') result (atom)
+         import :: C_ptr, C_char
+         type (C_ptr), value :: ptr
+         character (kind=C_char), dimension(*) :: name
+         type (C_ptr) :: atom
+      end function lammps_actual_extract_atom
+
+      function lammps_actual_extract_compute (ptr, id, style, type) &
+      result (compute) bind (C, name='lammps_extract_compute')
+         import :: C_ptr, C_char, C_int
+         type (C_ptr), value :: ptr
+         character (kind=C_char), dimension(*) :: id
+         integer (C_int), value :: style, type
+         type (C_ptr) :: compute
+      end function lammps_actual_extract_compute
+
+      function lammps_actual_extract_fix (ptr, id, style, type, i, j) &
+      result (fix) bind (C, name='lammps_extract_fix')
+         import :: C_ptr, C_char, C_int
+         type (C_ptr), value :: ptr
+         character (kind=C_char), dimension(*) :: id
+         integer (C_int), value :: style, type, i, j
+         type (C_ptr) :: fix
+      end function lammps_actual_extract_fix
+
+      function lammps_actual_extract_variable (ptr, name, group) &
+      result (variable) bind (C, name='lammps_extract_variable')
+         import :: C_ptr, C_char
+         type (C_ptr), value :: ptr
+         character (kind=C_char), dimension(*) :: name, group
+         type (C_ptr) :: variable
+      end function lammps_actual_extract_variable
+
+      function lammps_get_natoms (ptr) result (natoms) &
+      bind (C, name='lammps_get_natoms')
+         import :: C_ptr, C_int
+         type (C_ptr), value :: ptr
+         integer (C_int) :: natoms
+      end function lammps_get_natoms
+ 
+      subroutine lammps_set_callback (ptr) &
+      bind (C, name='lammps_set_callback')
+        import :: C_ptr
+        type (C_ptr), value :: ptr
+      end subroutine lammps_set_callback
+
+      subroutine lammps_set_user_energy (ptr, energy) &
+      bind (C, name='lammps_set_user_energy')
+        import :: C_ptr, C_double 
+        type (C_ptr), value :: ptr
+        real(C_double), value :: energy
+      end subroutine lammps_set_user_energy 
+
+      subroutine lammps_actual_gather_atoms (ptr, name, type, count, data) &
+      bind (C, name='lammps_gather_atoms')
+         import :: C_ptr, C_int, C_char
+         type (C_ptr), value :: ptr, data
+         character (kind=C_char), dimension(*) :: name
+         integer (C_int), value :: type, count
+      end subroutine lammps_actual_gather_atoms
+
+      subroutine lammps_actual_scatter_atoms (ptr, name, type, count, data) &
+      bind (C, name='lammps_scatter_atoms')
+         import :: C_ptr, C_int, C_char
+         type (C_ptr), value :: ptr, data
+         character (kind=C_char), dimension(*) :: name
+         integer (C_int), value :: type, count
+      end subroutine lammps_actual_scatter_atoms
+   end interface
+
+   ! Generic functions for the wrappers below {{{1
+
+   interface lammps_extract_global
+      module procedure lammps_extract_global_i, &
+         lammps_extract_global_dp
+   end interface lammps_extract_global
+
+   interface lammps_extract_atom
+      module procedure lammps_extract_atom_ia, &
+         lammps_extract_atom_dpa, &
+         lammps_extract_atom_dp2a
+   end interface lammps_extract_atom
+
+   interface lammps_extract_compute
+      module procedure lammps_extract_compute_dp, &
+         lammps_extract_compute_dpa, &
+         lammps_extract_compute_dp2a
+   end interface lammps_extract_compute
+
+   interface lammps_extract_fix
+      module procedure lammps_extract_fix_dp, &
+         lammps_extract_fix_dpa, &
+         lammps_extract_fix_dp2a
+   end interface lammps_extract_fix
+
+   interface lammps_extract_variable
+      module procedure lammps_extract_variable_dp, &
+         lammps_extract_variable_dpa
+   end interface lammps_extract_variable
+
+   interface lammps_gather_atoms
+      module procedure lammps_gather_atoms_ia, lammps_gather_atoms_dpa
+   end interface lammps_gather_atoms
+
+   interface lammps_scatter_atoms
+      module procedure lammps_scatter_atoms_ia, lammps_scatter_atoms_dpa
+   end interface lammps_scatter_atoms
+
+contains !! Wrapper functions local to this module {{{1
+
+   subroutine lammps_open (command_line, communicator, ptr)
+      character (len=*), intent(in) :: command_line
+      integer, intent(in) :: communicator
+      type (C_ptr) :: ptr
+      integer (C_int) :: argc
+      type (C_ptr), dimension(:), allocatable :: argv
+      character (kind=C_char), dimension(len_trim(command_line)+1), target :: &
+         c_command_line
+      c_command_line = string2Cstring (command_line)
+      call Cstring2argcargv (c_command_line, argc, argv)
+      call lammps_open_wrapper (argc, argv, communicator, ptr)
+      deallocate (argv)
+   end subroutine lammps_open
+
+!-----------------------------------------------------------------------------
+
+   subroutine lammps_open_no_mpi (command_line, ptr)
+      character (len=*), intent(in) :: command_line
+      type (C_ptr) :: ptr
+      integer (C_int) :: argc
+      type (C_ptr), dimension(:), allocatable :: argv
+      character (kind=C_char), dimension(len_trim(command_line)+1), target :: &
+         c_command_line
+      c_command_line = string2Cstring (command_line)
+      call Cstring2argcargv (c_command_line, argc, argv)
+      call lammps_actual_open_no_mpi (argc, argv, ptr)
+      deallocate (argv)
+   end subroutine lammps_open_no_mpi
+
+!-----------------------------------------------------------------------------
+
+   subroutine lammps_file (ptr, str)
+      type (C_ptr) :: ptr
+      character (len=*) :: str
+      character (kind=C_char), dimension(len_trim(str)+1) :: Cstr
+      Cstr = string2Cstring (str)
+      call lammps_actual_file (ptr, Cstr)
+   end subroutine lammps_file
+
+!-----------------------------------------------------------------------------
+
+   subroutine lammps_command (ptr, str)
+      type (C_ptr) :: ptr
+      character (len=*) :: str
+      character (kind=C_char), dimension(len_trim(str)+1) :: Cstr
+      type (C_ptr) :: dummy
+      Cstr = string2Cstring (str)
+      dummy = lammps_actual_command (ptr, Cstr)
+   end subroutine lammps_command
+
+!-----------------------------------------------------------------------------
+
+! lammps_extract_global {{{2
+   function lammps_extract_global_Cptr (ptr, name) result (global)
+      type (C_ptr) :: global
+      type (C_ptr), intent(in) :: ptr
+      character (len=*), intent(in) :: name
+      character (kind=C_char), dimension(len_trim(name)+1) :: Cname
+      Cname = string2Cstring (name)
+      global = lammps_actual_extract_global (ptr, Cname)
+   end function lammps_extract_global_Cptr
+   subroutine lammps_extract_global_i (global, ptr, name)
+      integer (C_int), pointer, intent(out) :: global
+      type (C_ptr), intent(in) :: ptr
+      character (len=*), intent(in) :: name
+      type (C_ptr) :: Cptr
+      Cptr = lammps_extract_global_Cptr (ptr, name)
+      call C_F_pointer (Cptr, global)
+   end subroutine lammps_extract_global_i
+   subroutine lammps_extract_global_dp (global, ptr, name)
+      real (C_double), pointer, intent(out) :: global
+      type (C_ptr), intent(in) :: ptr
+      character (len=*), intent(in) :: name
+      type (C_ptr) :: Cptr
+      Cptr = lammps_extract_global_Cptr (ptr, name)
+      call C_F_pointer (Cptr, global)
+   end subroutine lammps_extract_global_dp
+
+!-----------------------------------------------------------------------------
+
+! lammps_extract_atom {{{2
+   function lammps_extract_atom_Cptr (ptr, name) result (atom)
+      type (C_ptr) :: atom
+      type (C_ptr), intent(in) :: ptr
+      character (len=*), intent(in) :: name
+      character (kind=C_char), dimension(len_trim(name)+1) :: Cname
+      Cname = string2Cstring (name)
+      atom = lammps_actual_extract_atom (ptr, Cname)
+   end function lammps_extract_atom_Cptr
+   subroutine lammps_extract_atom_ia (atom, ptr, name)
+      integer (C_int), dimension(:), pointer, intent(out) :: atom
+      type (C_ptr), intent(in) :: ptr
+      character (len=*), intent(in) :: name
+      type (C_ptr) :: Cptr
+      integer (C_int), pointer :: nelements
+      call lammps_extract_global_i (nelements, ptr, 'nlocal')
+      Cptr = lammps_extract_atom_Cptr (ptr, name)
+      call C_F_pointer (Cptr, atom, (/nelements/))
+   end subroutine lammps_extract_atom_ia
+   subroutine lammps_extract_atom_dpa (atom, ptr, name)
+      real (C_double), dimension(:), pointer, intent(out) :: atom
+      type (C_ptr), intent(in) :: ptr
+      character (len=*), intent(in) :: name
+      type (C_ptr) :: Cptr
+      integer (C_int), pointer :: nlocal
+      integer :: nelements
+      real (C_double), dimension(:), pointer :: Fptr
+      if ( name == 'mass' ) then
+         nelements = lammps_get_ntypes (ptr) + 1
+      else if ( name == 'x' .or. name == 'v' .or. name == 'f' .or. &
+                name == 'mu' .or. name == 'omega' .or. name == 'torque' .or. &
+                name == 'angmom' ) then
+         ! We should not be getting a rank-2 array here!
+         call lammps_error_all (ptr, FLERR, 'You cannot extract those atom&
+            & data (' // trim(name) // ') into a rank 1 array.')
+         return
+      else
+         ! Everything else we can get is probably nlocal units long
+         call lammps_extract_global_i (nlocal, ptr, 'nlocal')
+         nelements = nlocal
+      end if
+      Cptr = lammps_extract_atom_Cptr (ptr, name)
+      call C_F_pointer (Cptr, Fptr, (/nelements/))
+      if ( name == 'mass' ) then
+         !atom(0:) => Fptr
+         atom => Fptr
+      else
+         atom => Fptr
+      end if
+   end subroutine lammps_extract_atom_dpa
+   subroutine lammps_extract_atom_dp2a (atom, ptr, name)
+      real (C_double), dimension(:,:), pointer, intent(out) :: atom
+      type (C_ptr), intent(in) :: ptr
+      character (len=*), intent(in) :: name
+      type (C_ptr) :: Cptr
+      type (C_ptr), pointer, dimension(:) :: Catom
+      integer (C_int), pointer :: nelements
+      if ( name /= 'x' .and. name /= 'v' .and. name /= 'f' .and. &
+           name /= 'mu' .and. name /= 'omega' .and. name /= 'tandque' .and. &
+           name /= 'angmom' .and. name /= 'fexternal' ) then
+         ! We should not be getting a rank-2 array here!
+         call lammps_error_all (ptr, FLERR, 'You cannot extract those atom&
+            & data (' // trim(name) // ') into a rank 2 array.')
+         return
+      end if
+      Cptr = lammps_extract_atom_Cptr (ptr, name)
+      call lammps_extract_global_i (nelements, ptr, 'nlocal')
+      ! Catom will now be the array of void* pointers that the void** pointer
+      ! pointed to.  Catom(1) is now the pointer to the first element.
+      call C_F_pointer (Cptr, Catom, (/nelements/))
+      ! Now get the actual array, which has its shape transposed from what we
+      ! might think of it in C
+      call C_F_pointer (Catom(1), atom, (/3, nelements/))
+   end subroutine lammps_extract_atom_dp2a
+
+!-----------------------------------------------------------------------------
+
+! lammps_extract_compute {{{2
+   function lammps_extract_compute_Cptr (ptr, id, style, type) result (compute)
+      type (C_ptr) :: compute
+      type (C_ptr), intent(in) :: ptr
+      character (len=*), intent(in) :: id
+      integer, intent(in) :: style, type
+      integer (kind=C_int) :: Cstyle, Ctype
+      character (kind=C_char), dimension(len_trim(id)+1) :: Cid
+      Cid = string2Cstring (id)
+      Cstyle = style
+      Ctype = type
+      compute = lammps_actual_extract_compute (ptr, Cid, Cstyle, Ctype)
+   end function lammps_extract_compute_Cptr
+   subroutine lammps_extract_compute_dp (compute, ptr, id, style, type)
+      real (C_double), pointer, intent(out) :: compute
+      type (C_ptr), intent(in) :: ptr
+      character (len=*), intent(in) :: id
+      integer, intent(in) :: style, type
+      type (C_ptr) :: Cptr
+      ! The only valid values of (style,type) are (0,0) for scalar 'compute'
+      if ( style /= 0 ) then
+         call lammps_error_all (ptr, FLERR, 'You cannot pack per-atom/local&
+            & data into a scalar.')
+         return
+      end if
+      if ( type == 1 ) then
+         call lammps_error_all (ptr, FLERR, 'You cannot extract a compute&
+            & vector (rank 1) into a scalar.')
+         return
+      else if ( type == 2 ) then
+         call lammps_error_all (ptr, FLERR, 'You cannot extract a compute&
+            & array (rank 2) into a scalar.')
+         return
+      end if
+      Cptr = lammps_extract_compute_Cptr (ptr, id, style, type)
+      call C_F_pointer (Cptr, compute)
+   end subroutine lammps_extract_compute_dp
+   subroutine lammps_extract_compute_dpa (compute, ptr, id, style, type)
+      real (C_double), dimension(:), pointer, intent(out) :: compute
+      type (C_ptr), intent(in) :: ptr
+      character (len=*), intent(in) :: id
+      integer, intent(in) :: style, type
+      type (C_ptr) :: Cptr
+      integer :: nelements
+      ! Check for the correct dimensionality
+      if ( type == 0 ) then
+         call lammps_error_all (ptr, FLERR, 'You cannot extract a compute&
+            & scalar (rank 0) into a rank 1 variable.')
+         return
+      else if ( type == 2 ) then
+         call lammps_error_all (ptr, FLERR, 'You cannot extract a compute&
+            & array (rank 2) into a rank 1 variable.')
+         return
+      end if
+      nelements = lammps_extract_compute_vectorsize (ptr, id, style)
+      Cptr = lammps_extract_compute_Cptr (ptr, id, style, type)
+      call C_F_pointer (Cptr, compute, (/nelements/))
+   end subroutine lammps_extract_compute_dpa
+   subroutine lammps_extract_compute_dp2a (compute, ptr, id, style, type)
+      real (C_double), dimension(:,:), pointer, intent(out) :: compute
+      type (C_ptr), intent(in) :: ptr
+      character (len=*), intent(in) :: id
+      integer, intent(in) :: style, type
+      type (C_ptr) :: Cptr
+      type (C_ptr), pointer, dimension(:) :: Ccompute
+      integer :: nr, nc
+      ! Check for the correct dimensionality
+      if ( type == 0 ) then
+         call lammps_error_all (ptr, FLERR, 'You cannot extract a compute&
+            & scalar (rank 0) into a rank 2 variable.')
+         return
+      else if ( type == 1 ) then
+         call lammps_error_all (ptr, FLERR, 'You cannot extract a compute&
+            & array (rank 1) into a rank 2 variable.')
+         return
+      end if
+      call lammps_extract_compute_arraysize (ptr, id, style, nr, nc)
+      Cptr = lammps_extract_compute_Cptr (ptr, id, style, type)
+      call C_F_pointer (Cptr, Ccompute, (/nr/))
+      ! Note that the matrix is transposed, from Fortran's perspective
+      call C_F_pointer (Ccompute(1), compute, (/nc, nr/))
+   end subroutine lammps_extract_compute_dp2a
+
+!-----------------------------------------------------------------------------
+
+! lammps_extract_fix {{{2
+   function lammps_extract_fix_Cptr (ptr, id, style, type, i, j) &
+   result (fix)
+      type (C_ptr) :: fix
+      type (C_ptr), intent(in) :: ptr
+      character (len=*), intent(in) :: id
+      integer, intent(in) :: style, type, i, j
+      character (kind=C_char), dimension(len_trim(id)+1) :: Cid
+      integer (kind=C_int) :: Cstyle, Ctype, Ci, Cj
+      Cid = string2Cstring (id)
+      Cstyle = style
+      Ctype = type
+      Ci = i - 1  ! This is for consistency with the values from f_ID[i],
+      Cj = j - 1  ! which is different from what library.cpp uses!
+      if ( (type >= 1 .and. Ci < 0) .or. &
+           (type == 2 .and. (Ci < 0 .or. Cj < 0) ) ) then
+         call lammps_error_all (ptr, FLERR, 'Index out of range in&
+            & lammps_extract_fix')
+      end if
+      fix = lammps_actual_extract_fix (ptr, Cid, Cstyle, Ctype, Ci, Cj)
+   end function lammps_extract_fix_Cptr
+   subroutine lammps_extract_fix_dp (fix, ptr, id, style, type, i, j)
+      real (C_double), intent(out) :: fix
+      type (C_ptr), intent(in) :: ptr
+      character (len=*), intent(in) :: id
+      integer, intent(in) :: style, type, i, j
+      type (C_ptr) :: Cptr
+      real (C_double), pointer :: Fptr
+      ! Check for the correct dimensionality
+      if ( style /= 0 ) then
+         select case (type)
+         case (0)
+            call lammps_error_all (ptr, FLERR, 'There is no per-atom or local&
+               & scalar data available from fixes.')
+         case (1)
+            call lammps_error_all (ptr, FLERR, 'You cannot extract a fix''s &
+               &per-atom/local vector (rank 1) into a scalar.')
+         case (2)
+            call lammps_error_all (ptr, FLERR, 'You cannot extract a fix''s &
+               &per-atom/local array (rank 2) into a scalar.')
+         case default
+            call lammps_error_all (ptr, FLERR, 'Invalid extract_fix style/&
+               &type combination.')
+         end select
+         return
+      end if
+      Cptr = lammps_extract_fix_Cptr (ptr, id, style, type, i, j)
+      call C_F_pointer (Cptr, Fptr)
+      fix = Fptr
+      nullify (Fptr)
+      ! Memory is only allocated for "global" fix variables
+      if ( style == 0 ) call lammps_free (Cptr)
+   end subroutine lammps_extract_fix_dp
+   subroutine lammps_extract_fix_dpa (fix, ptr, id, style, type, i, j)
+      real (C_double), dimension(:), pointer, intent(out) :: fix
+      type (C_ptr), intent(in) :: ptr
+      character (len=*), intent(in) :: id
+      integer, intent(in) :: style, type, i, j
+      type (C_ptr) :: Cptr
+      integer :: fix_len
+      ! Check for the correct dimensionality
+      if ( style == 0 ) then
+         call lammps_error_all (ptr, FLERR, 'You can''t extract the&
+            & whole vector from global fix data')
+         return
+      else if ( type == 0 ) then
+         call lammps_error_all (ptr, FLERR, 'You can''t extract a fix&
+            & scalar into a rank 1 variable')
+         return
+      else if ( type == 2 ) then
+         call lammps_error_all (ptr, FLERR, 'You cannot extract a fix&
+            & array into a rank 1 variable.')
+         return
+      else if ( type /= 1 ) then
+         call lammps_error_all (ptr, FLERR, 'Invalid type for fix extraction.')
+         return
+      end if
+      fix_len = lammps_extract_fix_vectorsize (ptr, id, style)
+      call C_F_pointer (Cptr, fix, (/fix_len/))
+      ! Memory is only allocated for "global" fix variables, which we should
+      ! never get here, so no need to call lammps_free!
+   end subroutine lammps_extract_fix_dpa
+   subroutine lammps_extract_fix_dp2a (fix, ptr, id, style, type, i, j)
+      real (C_double), dimension(:,:), pointer, intent(out) :: fix
+      type (C_ptr), intent(in) :: ptr
+      character (len=*), intent(in) :: id
+      integer, intent(in) :: style, type, i, j
+      type (C_ptr) :: Cptr
+      type (C_ptr), pointer, dimension(:) :: Cfix
+      integer :: nr, nc
+      ! Check for the correct dimensionality
+      if ( style == 0 ) then
+         call lammps_error_all (ptr, FLERR, 'It is not possible to extract the&
+            & entire array from global fix data.')
+         return
+      else if ( type == 0 ) then
+         call lammps_error_all (ptr, FLERR, 'You cannot extract a fix&
+            & scalar (rank 0) into a rank 2 variable.')
+         return
+      else if ( type == 1 ) then
+         call lammps_error_all (ptr, FLERR, 'You cannot extract a fix&
+            & vector (rank 1) into a rank 2 variable.')
+         return
+      end if
+      call lammps_extract_fix_arraysize (ptr, id, style, nr, nc)
+      ! Extract pointer to first element as Cfix(1)
+      call C_F_pointer (Cptr, Cfix, (/nr/))
+      ! Now extract the array, which is transposed
+      call C_F_pointer (Cfix(1), fix, (/nc, nr/))
+   end subroutine lammps_extract_fix_dp2a
+
+!-----------------------------------------------------------------------------
+
+! lammps_extract_variable {{{2
+   function lammps_extract_variable_Cptr (ptr, name, group) result (variable)
+      type (C_ptr) :: ptr, variable
+      character (len=*) :: name
+      character (len=*), optional :: group
+      character (kind=C_char), dimension(len_trim(name)+1) :: Cname
+      character (kind=C_char), dimension(:), allocatable :: Cgroup
+      Cname = string2Cstring (name)
+      if ( present(group) ) then
+         allocate (Cgroup(len_trim(group)+1))
+         Cgroup = string2Cstring (group)
+      else
+         allocate (Cgroup(1))
+         Cgroup(1) = C_NULL_CHAR
+      end if
+      variable = lammps_actual_extract_variable (ptr, Cname, Cgroup)
+      deallocate (Cgroup)
+   end function lammps_extract_variable_Cptr
+   subroutine lammps_extract_variable_dp (variable, ptr, name, group)
+      real (C_double), intent(out) :: variable
+      type (C_ptr), intent(in) :: ptr
+      character (len=*), intent(in) :: name
+      character (len=*), intent(in), optional :: group
+      type (C_ptr) :: Cptr
+      real (C_double), pointer :: Fptr
+      if ( present(group) ) then
+         Cptr = lammps_extract_variable_Cptr (ptr, name, group)
+      else
+         Cptr = lammps_extract_variable_Cptr (ptr, name)
+      end if
+      call C_F_pointer (Cptr, Fptr)
+      variable = Fptr
+      nullify (Fptr)
+      call lammps_free (Cptr)
+   end subroutine lammps_extract_variable_dp
+   subroutine lammps_extract_variable_dpa (variable, ptr, name, group)
+      real (C_double), dimension(:), allocatable, intent(out) :: variable
+      type (C_ptr), intent(in) :: ptr
+      character (len=*), intent(in) :: name
+      character (len=*), intent(in), optional :: group
+      type (C_ptr) :: Cptr
+      real (C_double), dimension(:), pointer :: Fptr
+      integer :: natoms
+      if ( present(group) ) then
+         Cptr = lammps_extract_variable_Cptr (ptr, name, group)
+      else
+         Cptr = lammps_extract_variable_Cptr (ptr, name)
+      end if
+      natoms = lammps_get_natoms (ptr)
+      allocate (variable(natoms))
+      call C_F_pointer (Cptr, Fptr, (/natoms/))
+      variable = Fptr
+      nullify (Fptr)
+      call lammps_free (Cptr)
+   end subroutine lammps_extract_variable_dpa
+
+!-------------------------------------------------------------------------2}}}
+
+   subroutine lammps_gather_atoms_ia (ptr, name, count, data)
+      type (C_ptr), intent(in) :: ptr
+      character (len=*), intent(in) :: name
+      integer, intent(in) :: count
+      integer, dimension(:), allocatable, intent(out) :: data
+      type (C_ptr) :: Cdata
+      integer (C_int), dimension(:), pointer :: Fdata
+      integer (C_int) :: natoms
+      character (kind=C_char), dimension(len_trim(name)+1) :: Cname
+      integer (C_int), parameter :: Ctype = 0_C_int
+      integer (C_int) :: Ccount
+      natoms = lammps_get_natoms (ptr)
+      Cname = string2Cstring (name)
+      if ( count /= 1 .and. count /= 3 ) then
+         call lammps_error_all (ptr, FLERR, 'lammps_gather_atoms requires&
+            & count to be either 1 or 3')
+      else
+         Ccount = count
+      end if
+      allocate ( Fdata(count*natoms) )
+      allocate ( data(count*natoms) )
+      Cdata = C_loc (Fdata(1))
+      call lammps_actual_gather_atoms (ptr, Cname, Ctype, Ccount, Cdata)
+      data = Fdata
+      deallocate (Fdata)
+   end subroutine lammps_gather_atoms_ia
+   subroutine lammps_gather_atoms_dpa (ptr, name, count, data)
+      type (C_ptr), intent(in) :: ptr
+      character (len=*), intent(in) :: name
+      integer, intent(in) :: count
+      double precision, dimension(:), allocatable, intent(out) :: data
+      type (C_ptr) :: Cdata
+      real (C_double), dimension(:), pointer :: Fdata
+      integer (C_int) :: natoms
+      character (kind=C_char), dimension(len_trim(name)+1) :: Cname
+      integer (C_int), parameter :: Ctype = 1_C_int
+      integer (C_int) :: Ccount
+      natoms = lammps_get_natoms (ptr)
+      Cname = string2Cstring (name)
+      if ( count /= 1 .and. count /= 3 ) then
+         call lammps_error_all (ptr, FLERR, 'lammps_gather_atoms requires&
+            & count to be either 1 or 3')
+      else
+         Ccount = count
+      end if
+      allocate ( Fdata(count*natoms) )
+      allocate ( data(count*natoms) )
+      Cdata = C_loc (Fdata(1))
+      call lammps_actual_gather_atoms (ptr, Cname, Ctype, Ccount, Cdata)
+      data = Fdata(:)
+      deallocate (Fdata)
+   end subroutine lammps_gather_atoms_dpa
+
+!-----------------------------------------------------------------------------
+
+   subroutine lammps_scatter_atoms_ia (ptr, name, data)
+      type (C_ptr), intent(in) :: ptr
+      character (len=*), intent(in) :: name
+      integer, dimension(:), intent(in) :: data
+      integer (kind=C_int) :: natoms, Ccount
+      integer (kind=C_int), parameter :: Ctype = 0_C_int
+      character (kind=C_char), dimension(len_trim(name)+1) :: Cname
+      integer (C_int), dimension(size(data)), target :: Fdata
+      type (C_ptr) :: Cdata
+      natoms = lammps_get_natoms (ptr)
+      Cname = string2Cstring (name)
+      Ccount = size(data) / natoms
+      if ( Ccount /= 1 .and. Ccount /= 3 ) &
+         call lammps_error_all (ptr, FLERR, 'lammps_gather_atoms requires&
+            & count to be either 1 or 3')
+      Fdata = data
+      Cdata = C_loc (Fdata(1))
+      call lammps_actual_scatter_atoms (ptr, Cname, Ctype, Ccount, Cdata)
+   end subroutine lammps_scatter_atoms_ia
+   subroutine lammps_scatter_atoms_dpa (ptr, name, data)
+      type (C_ptr), intent(in) :: ptr
+      character (len=*), intent(in) :: name
+      double precision, dimension(:), intent(in) :: data
+      integer (kind=C_int) :: natoms, Ccount
+      integer (kind=C_int), parameter :: Ctype = 1_C_int
+      character (kind=C_char), dimension(len_trim(name)+1) :: Cname
+      real (C_double), dimension(size(data)), target :: Fdata
+      type (C_ptr) :: Cdata
+      natoms = lammps_get_natoms (ptr)
+      Cname = string2Cstring (name)
+      Ccount = size(data) / natoms
+      if ( Ccount /= 1 .and. Ccount /= 3 ) &
+         call lammps_error_all (ptr, FLERR, 'lammps_gather_atoms requires&
+            & count to be either 1 or 3')
+      Fdata = data
+      Cdata = C_loc (Fdata(1))
+      call lammps_actual_scatter_atoms (ptr, Cname, Ctype, Ccount, Cdata)
+   end subroutine lammps_scatter_atoms_dpa
+
+!-----------------------------------------------------------------------------
+
+   function lammps_extract_compute_vectorsize (ptr, id, style) &
+   result (vectorsize)
+      integer :: vectorsize
+      type (C_ptr), intent(in) :: ptr
+      character (len=*), intent(in) :: id
+      integer, intent(in) :: style
+      integer (C_int) :: Cvectorsize, Cstyle
+      character (kind=C_char), dimension(len_trim(id)+1) :: Cid
+      Cid = string2Cstring (id)
+      Cstyle = int(style, C_int)
+      Cvectorsize = lammps_actual_extract_compute_vectorsize (ptr, Cid, Cstyle)
+      vectorsize = int(Cvectorsize, kind(vectorsize))
+   end function lammps_extract_compute_vectorsize
+
+!-----------------------------------------------------------------------------
+
+   function lammps_extract_fix_vectorsize (ptr, id, style) &
+   result (vectorsize)
+      integer :: vectorsize
+      type (C_ptr), intent(in) :: ptr
+      character (len=*), intent(in) :: id
+      integer, intent(in) :: style
+      integer (C_int) :: Cvectorsize, Cstyle
+      character (kind=C_char), dimension(len_trim(id)+1) :: Cid
+      Cid = string2Cstring (id)
+      Cstyle = int(style, C_int)
+      Cvectorsize = lammps_actual_extract_fix_vectorsize (ptr, Cid, Cstyle)
+      vectorsize = int(Cvectorsize, kind(vectorsize))
+   end function lammps_extract_fix_vectorsize
+
+!-----------------------------------------------------------------------------
+
+   subroutine lammps_extract_compute_arraysize (ptr, id, style, nrows, ncols)
+      type (C_ptr), intent(in) :: ptr
+      character (len=*), intent(in) :: id
+      integer, intent(in) :: style
+      integer, intent(out) :: nrows, ncols
+      integer (C_int) :: Cstyle, Cnrows, Cncols
+      character (kind=C_char), dimension(len_trim(id)+1) :: Cid
+      Cid = string2Cstring (id)
+      Cstyle = int (style, C_int)
+      call lammps_actual_extract_compute_arraysize (ptr, Cid, Cstyle, &
+         Cnrows, Cncols)
+      nrows = int (Cnrows, kind(nrows))
+      ncols = int (Cncols, kind(ncols))
+   end subroutine lammps_extract_compute_arraysize
+
+!-----------------------------------------------------------------------------
+
+   subroutine lammps_extract_fix_arraysize (ptr, id, style, nrows, ncols)
+      type (C_ptr), intent(in) :: ptr
+      character (len=*), intent(in) :: id
+      integer, intent(in) :: style
+      integer, intent(out) :: nrows, ncols
+      integer (C_int) :: Cstyle, Cnrows, Cncols
+      character (kind=C_char), dimension(len_trim(id)+1) :: Cid
+      Cid = string2Cstring (id)
+      Cstyle = int (style, kind(Cstyle))
+      call lammps_actual_extract_fix_arraysize (ptr, Cid, Cstyle, &
+         Cnrows, Cncols)
+      nrows = int (Cnrows, kind(nrows))
+      ncols = int (Cncols, kind(ncols))
+   end subroutine lammps_extract_fix_arraysize
+
+!-----------------------------------------------------------------------------
+
+   subroutine lammps_error_all (ptr, file, line, str)
+      type (C_ptr), intent(in) :: ptr
+      character (len=*), intent(in) :: file, str
+      integer, intent(in) :: line
+      character (kind=C_char), dimension(len_trim(file)+1) :: Cfile
+      character (kind=C_char), dimension(len_trim(str)+1) :: Cstr
+      integer (C_int) :: Cline
+      Cline = int(line, kind(Cline))
+      Cfile = string2Cstring (file)
+      Cstr = string2Cstring (str)
+      call lammps_actual_error_all (ptr, Cfile, Cline, Cstr)
+   end subroutine lammps_error_all
+
+!-----------------------------------------------------------------------------
+
+! Locally defined helper functions {{{1
+
+   pure function string2Cstring (string) result (C_string)
+      use, intrinsic :: ISO_C_binding, only : C_char, C_NULL_CHAR
+      character (len=*), intent(in) :: string
+      character (len=1, kind=C_char) :: C_string (len_trim(string)+1)
+      integer :: i, n
+      n = len_trim (string)
+      forall (i = 1:n)
+         C_string(i) = string(i:i)
+      end forall
+      C_string(n+1) = C_NULL_CHAR
+   end function string2Cstring
+
+!-----------------------------------------------------------------------------
+
+   subroutine Cstring2argcargv (Cstring, argc, argv)
+   !! Converts a C-style string to argc and argv, that is, words in Cstring
+   !! become C-style strings in argv.  IMPORTANT:  Cstring is modified by
+   !! this routine!  I would make Cstring local TO this routine and accept
+   !! a Fortran-style string instead, but we run into scoping and
+   !! allocation problems that way.  This routine assumes the string is
+   !! null-terminated, as all C-style strings must be.
+
+      character (kind=C_char), dimension(*), target, intent(inout) :: Cstring
+      integer (C_int), intent(out) :: argc
+      type (C_ptr), dimension(:), allocatable, intent(out) :: argv
+
+      integer :: StringStart, SpaceIndex, strlen, argnum
+
+      argc = 1_C_int
+
+      ! Find the length of the string
+      strlen = 1
+      do while ( Cstring(strlen) /= C_NULL_CHAR )
+         strlen = strlen + 1
+      end do
+
+      ! Find the number of non-escaped spaces
+      SpaceIndex = 2
+      do while ( SpaceIndex < strlen )
+         if ( Cstring(SpaceIndex) == ' ' .and. &
+              Cstring(SpaceIndex-1) /= '\' ) then
+            argc = argc + 1_C_int
+            ! Find the next non-space character
+            do while ( Cstring(SpaceIndex+1) == ' ')
+               SpaceIndex = SpaceIndex + 1
+            end do
+         end if
+         SpaceIndex = SpaceIndex + 1
+      end do
+
+      ! Now allocate memory for argv
+      allocate (argv(argc))
+
+      ! Now find the string starting and ending locations
+      StringStart = 1
+      SpaceIndex = 2
+      argnum = 1
+      do while ( SpaceIndex < strlen )
+         if ( Cstring(SpaceIndex) == ' ' .and. &
+              Cstring(SpaceIndex-1) /= '\' ) then
+            ! Found a real space => split strings and store this one
+            Cstring(Spaceindex) = C_NULL_CHAR ! Replaces space with NULL
+            argv(argnum) = C_loc(Cstring(StringStart))
+            argnum = argnum + 1
+            ! Find the next non-space character
+            do while ( Cstring(SpaceIndex+1) == ' ')
+               SpaceIndex = SpaceIndex + 1
+            end do
+            StringStart = SpaceIndex + 1
+         else if ( Cstring(SpaceIndex) == ' ' .and. &
+              Cstring(SpaceIndex-1) == '\' ) then
+            ! Escaped space => remove backslash and move rest of array
+            Cstring(SpaceIndex-1:strlen-1) = Cstring(SpaceIndex:strlen)
+            strlen = strlen - 1 ! Last character is still C_NULL_CHAR
+         end if
+         SpaceIndex = SpaceIndex + 1
+      end do
+      ! Now handle the last argument
+      argv(argnum) = C_loc(Cstring(StringStart))
+
+   end subroutine Cstring2argcargv
+
+! 1}}}
+
+end module LAMMPS
+
+! vim: foldmethod=marker tabstop=3 softtabstop=3 shiftwidth=3 expandtab
diff -Naur lammps-23Jun17/examples/COUPLE/fortran3/README lammps-6Jul17/examples/COUPLE/fortran3/README
--- lammps-23Jun17/examples/COUPLE/fortran3/README	1969-12-31 17:00:00.000000000 -0700
+++ lammps-6Jul17/examples/COUPLE/fortran3/README	2017-07-03 14:17:33.079849000 -0600
@@ -0,0 +1,33 @@
+This directory has an example of using a callback function to obtain
+forces from a fortran code for a LAMMPS simulation.  The reader should
+refer to the README file in COUPLE/fortran2 before proceeding. Here,
+the LAMMPS.F90 file has been modified slightly and additional files
+named LAMMPS-wrapper2.h and LAMMPS-wrapper2.cpp have been included in
+order to supply wrapper functions to set the LAMMPS callback function
+and total energy.
+
+In this example, the callback function is set to run the
+semi-empirical quantum code DFTB+ in serial and then read in the total
+energy, forces, and stress tensor from file.  In this case, nlocal =
+the total number of atoms in the system, so particle positions can be
+read from the pos array directly, and DFTB+ forces can simply be
+included via the fext array. The user should take care in the case of
+a parallel calculation, where LAMMPS can assign different particules
+to each processor. For example, the user should use functions such as
+lammps_gather_atoms() and lammps_scatter_atoms() in the case where the
+fortran force calculating code requires the positions of all atoms,
+etc.
+
+A few more important notes: 
+
+-The stress tensor from DFTB+ is passed in to LAMMPS via pointer.
+-Calling the subroutine lammps_set_callback() is required in order to set
+       a pointer to the callback function in LAMMPS.
+-The subroutine lammps_set_user_energy() passes in the potential energy
+       from DFTB+ to LAMMPS.
+
+This example was created by Nir Goldman, whom you can contact with
+questions:
+
+Nir Goldman, LLNL
+ngoldman@llnl.gov
diff -Naur lammps-23Jun17/examples/COUPLE/fortran3/data.diamond lammps-6Jul17/examples/COUPLE/fortran3/data.diamond
--- lammps-23Jun17/examples/COUPLE/fortran3/data.diamond	1969-12-31 17:00:00.000000000 -0700
+++ lammps-6Jul17/examples/COUPLE/fortran3/data.diamond	2017-07-03 14:17:33.079849000 -0600
@@ -0,0 +1,148 @@
+# Position data file
+
+64 atoms
+1 atom types
+
+0 7.134 xlo xhi
+0 7.134 ylo yhi
+0 7.134 zlo zhi
+
+0.00000000 0.00000000 0.00000000 xy xz yz
+
+Masses
+
+1 12.010000
+
+Atoms
+
+     1 1 0     0 0 0
+     2 1 0     0.89175 0.89175 0.89175
+     3 1 0     1.7835 1.7835 0
+     4 1 0     2.67525 2.67525 0.89175
+     5 1 0     0 1.7835 1.7835
+     6 1 0     0.89175 2.67525 2.67525
+     7 1 0     1.7835 0 1.7835
+     8 1 0     2.67525 0.89175 2.67525
+     9 1 0     0 0 3.567
+     10 1 0     0.89175 0.89175 4.45875
+     11 1 0     1.7835 1.7835 3.567
+     12 1 0     2.67525 2.67525 4.45875
+     13 1 0     0 1.7835 5.3505
+     14 1 0     0.89175 2.67525 6.24225
+     15 1 0     1.7835 0 5.3505
+     16 1 0     2.67525 0.89175 6.24225
+     17 1 0     0 3.567 0
+     18 1 0     0.89175 4.45875 0.89175
+     19 1 0     1.7835 5.3505 0
+     20 1 0     2.67525 6.24225 0.89175
+     21 1 0     0 5.3505 1.7835
+     22 1 0     0.89175 6.24225 2.67525
+     23 1 0     1.7835 3.567 1.7835
+     24 1 0     2.67525 4.45875 2.67525
+     25 1 0     0 3.567 3.567
+     26 1 0     0.89175 4.45875 4.45875
+     27 1 0     1.7835 5.3505 3.567
+     28 1 0     2.67525 6.24225 4.45875
+     29 1 0     0 5.3505 5.3505
+     30 1 0     0.89175 6.24225 6.24225
+     31 1 0     1.7835 3.567 5.3505
+     32 1 0     2.67525 4.45875 6.24225
+     33 1 0     3.567 0 0
+     34 1 0     4.45875 0.89175 0.89175
+     35 1 0     5.3505 1.7835 0
+     36 1 0     6.24225 2.67525 0.89175
+     37 1 0     3.567 1.7835 1.7835
+     38 1 0     4.45875 2.67525 2.67525
+     39 1 0     5.3505 0 1.7835
+     40 1 0     6.24225 0.89175 2.67525
+     41 1 0     3.567 0 3.567
+     42 1 0     4.45875 0.89175 4.45875
+     43 1 0     5.3505 1.7835 3.567
+     44 1 0     6.24225 2.67525 4.45875
+     45 1 0     3.567 1.7835 5.3505
+     46 1 0     4.45875 2.67525 6.24225
+     47 1 0     5.3505 0 5.3505
+     48 1 0     6.24225 0.89175 6.24225
+     49 1 0     3.567 3.567 0
+     50 1 0     4.45875 4.45875 0.89175
+     51 1 0     5.3505 5.3505 0
+     52 1 0     6.24225 6.24225 0.89175
+     53 1 0     3.567 5.3505 1.7835
+     54 1 0     4.45875 6.24225 2.67525
+     55 1 0     5.3505 3.567 1.7835
+     56 1 0     6.24225 4.45875 2.67525
+     57 1 0     3.567 3.567 3.567
+     58 1 0     4.45875 4.45875 4.45875
+     59 1 0     5.3505 5.3505 3.567
+     60 1 0     6.24225 6.24225 4.45875
+     61 1 0     3.567 5.3505 5.3505
+     62 1 0     4.45875 6.24225 6.24225
+     63 1 0     5.3505 3.567 5.3505
+     64 1 0     6.24225 4.45875 6.24225
+
+Velocities
+
+1 -0.00733742 -0.0040297 -0.00315229 
+2 -0.00788609 -0.00567535 -0.00199152 
+3 -0.00239042 0.00710139 -0.00335049 
+4 0.00678551 0.0019976 0.00219289 
+5 0.00413717 0.00275709 0.000937637 
+6 -0.00126313 0.00485636 0.00727862 
+7 0.00337547 -0.00234623 -0.000922223 
+8 -0.00792183 -0.00509186 -0.00104168 
+9 0.00414091 0.00390285 0.000845961 
+10 -0.000284543 0.0010771 -0.00458404 
+11 -0.00394968 -0.00446363 -0.00361688 
+12 0.00067088 -0.00655175 -0.00752464 
+13 0.00306632 -0.00245545 -0.00183867 
+14 -0.0082145 -0.00564127 0.000281191 
+15 0.00504454 0.0045835 0.000495763 
+16 0.0035767 0.00320441 -0.00486426 
+17 0.00420597 0.00262005 -0.0049459 
+18 0.00440579 -1.76783e-05 0.00449311 
+19 -0.00406463 0.00613304 0.00285599 
+20 0.00171215 -0.00517887 0.00124326 
+21 0.0011118 0.00334129 -0.0015222 
+22 -0.00838394 -0.00112906 -0.00353379 
+23 -0.00578527 -0.00415501 0.00297043 
+24 -0.00211466 0.000964108 -0.00716523 
+25 -0.000204107 -0.00380986 0.00681648 
+26 0.00677838 0.00540935 0.0044354 
+27 -0.00266809 -0.00358382 -0.00241889 
+28 -0.0003973 0.00236566 0.00558871 
+29 0.000754103 0.00457797 0.000105531 
+30 -0.00246049 0.00110428 0.00511088 
+31 0.00248891 0.00623314 0.00461597 
+32 -0.00509423 0.000570503 0.00720856 
+33 -0.00244427 -0.00374384 0.00618767 
+34 -0.000360752 -8.10558e-05 0.00314052 
+35 0.00435313 -0.00630587 -0.0070309 
+36 0.00651087 -0.00389833 3.72525e-05 
+37 0.00631828 -0.00316064 0.00231522 
+38 -0.00579624 -0.00345068 -0.000277486 
+39 0.00483974 0.000715028 0.000206355 
+40 -0.00388164 -0.00189242 -0.00554862 
+41 0.00398115 0.00152915 0.00756919 
+42 -0.000552263 0.00352025 -0.000246143 
+43 -0.00800284 0.00555703 0.00425716 
+44 -0.00734405 -0.00752512 0.00667173 
+45 -0.00545636 0.00421035 0.00399552 
+46 0.00480246 0.00621147 -0.00492715 
+47 -0.00424168 0.00621818 -9.37733e-05 
+48 -0.00649561 0.00612908 -0.0020753 
+49 -0.0075007 -0.00384737 -0.00687913 
+50 -0.00203903 -0.00764372 0.0023883 
+51 0.00442642 0.00744072 -0.0049344 
+52 -0.00280486 -0.00509128 -0.00678045 
+53 0.00679491 0.00583493 0.00333875 
+54 0.00574665 -0.00521074 0.00523475 
+55 0.00305618 -0.00320094 0.00341297 
+56 0.004304 0.000615544 -0.00668787 
+57 0.00564532 0.00327373 0.00388611 
+58 0.000676899 0.00210326 0.00495295 
+59 0.000160781 -0.00744313 -0.00279828 
+60 0.00623521 0.00371301 0.00178015 
+61 0.00520759 0.000642669 0.00207913 
+62 0.00398042 0.0046438 -0.00359978 
+63 -0.00478071 -0.00304932 -0.00765125 
+64 0.00282671 -0.00548392 -0.00692691 
diff -Naur lammps-23Jun17/examples/COUPLE/fortran3/in.simple lammps-6Jul17/examples/COUPLE/fortran3/in.simple
--- lammps-23Jun17/examples/COUPLE/fortran3/in.simple	1969-12-31 17:00:00.000000000 -0700
+++ lammps-6Jul17/examples/COUPLE/fortran3/in.simple	2017-07-03 14:17:33.079849000 -0600
@@ -0,0 +1,16 @@
+units real
+atom_style	charge
+atom_modify map array
+atom_modify sort 0 0.0
+read_data data.diamond
+neighbor        1.0 bin
+neigh_modify    delay 0 every 5 check no
+fix 1 all nve
+fix 2 all external pf/callback 1 1
+
+fix_modify 2 energy yes 
+thermo_style custom step temp etotal ke pe lx ly lz pxx pyy pzz press 
+
+thermo          1
+timestep        0.5
+
diff -Naur lammps-23Jun17/examples/COUPLE/fortran3/makefile lammps-6Jul17/examples/COUPLE/fortran3/makefile
--- lammps-23Jun17/examples/COUPLE/fortran3/makefile	1969-12-31 17:00:00.000000000 -0700
+++ lammps-6Jul17/examples/COUPLE/fortran3/makefile	2017-07-03 14:17:33.079849000 -0600
@@ -0,0 +1,45 @@
+SHELL = /bin/sh
+
+# Path to LAMMPS extraction directory
+LAMMPS_ROOT = ../../..
+LAMMPS_SRC = $(LAMMPS_ROOT)/src
+
+# Uncomment the line below if using the MPI stubs library
+MPI_STUBS = #-I$(LAMMPS_SRC)/STUBS
+
+FC = mpif90 # replace with your Fortran compiler
+CXX = mpicc # replace with your C++ compiler
+
+# Flags for Fortran compiler, C++ compiler, and C preprocessor, respectively
+FFLAGS = -O2 -fPIC 
+CXXFLAGS = -O2 -fPIC
+CPPFLAGS = -DOMPI_SKIP_MPICXX=1 -DMPICH_SKIP_MPICXX
+
+all : liblammps_fortran.a liblammps_fortran.so simpleF.x
+
+liblammps_fortran.so : LAMMPS.o LAMMPS-wrapper.o LAMMPS-wrapper2.o
+	$(FC) $(FFLAGS) -shared -o $@ $^
+
+simpleF.x: simple.o LAMMPS.o LAMMPS-wrapper.o LAMMPS-wrapper2.o
+	$(FC) $(FFLAGS) simple.o -o simpleF.x liblammps_fortran.a $(LAMMPS_SRC)/liblammps_mvapich.a -lstdc++ /usr/local/tools/fftw/lib/libfftw.a
+
+liblammps_fortran.a : LAMMPS.o LAMMPS-wrapper.o LAMMPS-wrapper2.o
+	$(AR) rs $@ $^
+
+LAMMPS.o lammps.mod : LAMMPS.F90
+	$(FC) $(CPPFLAGS) $(FFLAGS) -c $<
+
+simple.o : simple.f90
+	$(FC) $(FFLAGS) -c $<
+
+LAMMPS-wrapper.o : LAMMPS-wrapper.cpp LAMMPS-wrapper.h
+	$(CXX) $(CPPFLAGS) $(CXXFLAGS) -c $< -I$(LAMMPS_SRC) $(MPI_STUBS)
+
+LAMMPS-wrapper2.o : LAMMPS-wrapper2.cpp LAMMPS-wrapper2.h
+	$(CXX) $(CPPFLAGS) $(CXXFLAGS) -c $< -I$(LAMMPS_SRC) $(MPI_STUBS)
+
+clean :
+	$(RM) *.o *.mod liblammps_fortran.a liblammps_fortran.so
+
+dist :
+	tar -czvf fortran-interface-callback.tar.gz LAMMPS-wrapper.h LAMMPS-wrapper.cpp LAMMPS-wrapper2.h LAMMPS-wrapper2.cpp LAMMPS.F90 makefile README simple.f90
diff -Naur lammps-23Jun17/examples/COUPLE/fortran3/simple.f90 lammps-6Jul17/examples/COUPLE/fortran3/simple.f90
--- lammps-23Jun17/examples/COUPLE/fortran3/simple.f90	1969-12-31 17:00:00.000000000 -0700
+++ lammps-6Jul17/examples/COUPLE/fortran3/simple.f90	2017-07-03 14:17:33.079849000 -0600
@@ -0,0 +1,114 @@
+   module callback
+     implicit none
+     contains
+       subroutine fortran_callback(lmp, timestep, nlocal, ids, c_pos, c_fext) & 
+     & bind(C, name='f_callback')
+       use, intrinsic :: ISO_C_binding
+       use LAMMPS
+       implicit none
+       type (C_ptr), value :: lmp
+       integer(C_int64_t), intent(in), value :: timestep
+       integer(C_int), intent(in), value :: nlocal
+       real (C_double), dimension(:,:), pointer :: x
+       type(c_ptr) :: c_pos, c_fext, c_ids
+       double precision, pointer :: fext(:,:), pos(:,:)
+       integer, intent(in) :: ids(nlocal)
+       real (C_double), dimension(:), pointer :: virial => NULL()
+       real (C_double) :: etot
+       real(C_double), pointer :: ts_lmp
+       double precision :: stress(3,3), ts_dftb
+       integer :: natom , i
+       real (C_double), parameter :: econv = 627.4947284155114 ! converts from Ha to
+       double precision, parameter :: fconv = 1185.793095983065 ! converts from Ha/bohr to
+       double precision, parameter :: autoatm = 2.9037166638E8
+       double precision lx, ly, lz
+       real (C_double), pointer :: boxxlo, boxxhi
+       real (C_double), pointer :: boxylo, boxyhi
+       real (C_double), pointer :: boxzlo, boxzhi
+       double precision, parameter :: nktv2p = 68568.4149999999935972
+       double precision :: volume
+       type (C_ptr) :: Cptr
+       type (C_ptr), pointer, dimension(:) :: Catom
+
+       call c_f_pointer(c_pos, pos, [3,nlocal])
+       call c_f_pointer(c_fext, fext, [3,nlocal])
+       call lammps_extract_global(boxxlo, lmp, 'boxxlo')
+       call lammps_extract_global(boxxhi, lmp, 'boxxhi')
+       call lammps_extract_global(boxylo, lmp, 'boxylo')
+       call lammps_extract_global(boxyhi, lmp, 'boxyhi')
+       call lammps_extract_global(boxzlo, lmp, 'boxzlo')
+       call lammps_extract_global(boxzhi, lmp, 'boxzhi')
+       lx = boxxhi - boxxlo
+       ly = boxyhi - boxylo
+       lz = boxzhi - boxzlo
+       volume = lx*ly*lz
+       open (unit = 10, status = 'replace', action = 'write', file='lammps.gen')
+       write(10,*)nlocal,"S"
+       write(10,*) "C"
+       do i = 1, nlocal
+         write(10,'(2I,3F15.6)')i,1,pos(:,ids(i))
+       enddo
+       write(10,*)"0.0 0.0 0.0"
+       write(10,*)lx,0,0
+       write(10,*)0,ly,0
+       write(10,*)0,0,lz
+       close(10)
+       call system("./dftb+ > dftb.out")
+       open (unit = 10, status = 'old', file = 'results.out')
+       read(10,*)etot
+       read(10,*)ts_dftb
+       do i = 1, 3
+         read(10,*)stress(i,:)
+       enddo
+       stress (:,:) = stress(:,:)*autoatm
+       etot = etot*econv
+       call lammps_extract_global(ts_lmp, lmp, 'TS_dftb')
+       ts_lmp = ts_dftb
+       do i = 1, nlocal
+         read(10,*)fext(:,ids(i))
+         fext(:,ids(i)) = fext(:,ids(i))*fconv
+       enddo
+       close(10)
+       call lammps_set_user_energy (lmp, etot)
+       call lammps_extract_atom (virial, lmp, 'virial')
+       if (.not. associated(virial)) then
+         print*,'virial pointer not associated.'
+         STOP
+       endif
+       virial(1) = stress(1,1)/(nktv2p/volume)
+       virial(2) = stress(2,2)/(nktv2p/volume)
+       virial(3) = stress(3,3)/(nktv2p/volume)
+       virial(4) = stress(1,2)/(nktv2p/volume)
+       virial(5) = stress(1,3)/(nktv2p/volume)
+       virial(6) = stress(2,3)/(nktv2p/volume)
+
+       end  subroutine
+    end module callback
+
+
+program simple_fortran_callback
+
+   use MPI
+   use LAMMPS
+   use callback
+   use, intrinsic :: ISO_C_binding, only : C_double, C_ptr, C_int, C_FUNPTR
+   implicit none
+   type (C_ptr) :: lmp
+   integer :: error, narg, me, nprocs
+
+   call MPI_Init (error)
+   call MPI_Comm_rank (MPI_COMM_WORLD, me, error)
+   call MPI_Comm_size (MPI_COMM_WORLD, nprocs, error)
+
+   call lammps_open_no_mpi ('lmp -log log.simple', lmp)
+   call lammps_file (lmp, 'in.simple')
+   call lammps_set_callback(lmp)
+
+   call lammps_command (lmp, 'run 10')
+   call lammps_close (lmp)
+   call MPI_Finalize (error)
+
+
+end program simple_fortran_callback
+
+
diff -Naur lammps-23Jun17/examples/balance/in.balance.bond.fast lammps-6Jul17/examples/balance/in.balance.bond.fast
--- lammps-23Jun17/examples/balance/in.balance.bond.fast	2016-10-05 15:41:11.000000000 -0600
+++ lammps-6Jul17/examples/balance/in.balance.bond.fast	2017-07-03 12:30:34.524715000 -0600
@@ -32,7 +32,7 @@
 # need to preserve 1-3, 1-4 pairwise interactions during hard collisions
 
 special_bonds   lj/coul 0 1 1
-create_bonds    all all 1 1.0 1.5
+create_bonds    many all all 1 1.0 1.5
 
 neighbor	0.3 bin
 neigh_modify	delay 0 every 1 check yes
diff -Naur lammps-23Jun17/examples/balance/in.balance.bond.slow lammps-6Jul17/examples/balance/in.balance.bond.slow
--- lammps-23Jun17/examples/balance/in.balance.bond.slow	2015-01-20 15:38:29.000000000 -0700
+++ lammps-6Jul17/examples/balance/in.balance.bond.slow	2017-07-03 12:30:34.524715000 -0600
@@ -32,7 +32,7 @@
 bond_style      harmonic
 bond_coeff      1 10.0 1.2
 
-create_bonds    all all 1 1.0 1.5
+create_bonds    many all all 1 1.0 1.5
 
 neighbor	0.3 bin
 neigh_modify	delay 0 every 1 check yes
diff -Naur lammps-23Jun17/examples/meam/in.meamc lammps-6Jul17/examples/meam/in.meamc
--- lammps-23Jun17/examples/meam/in.meamc	1969-12-31 17:00:00.000000000 -0700
+++ lammps-6Jul17/examples/meam/in.meamc	2017-07-03 12:30:34.524715000 -0600
@@ -0,0 +1,30 @@
+# Test of MEAM potential for SiC system
+
+units		metal
+boundary	p p p
+
+atom_style	atomic
+
+read_data	data.meam
+
+pair_style	meam/c
+pair_coeff	* * library.meam Si C SiC.meam Si C
+
+neighbor	0.3 bin
+neigh_modify	delay 10
+
+fix		1 all nve
+thermo		10
+timestep	0.001
+
+#dump		1 all atom 50 dump.meam
+
+#dump		2 all image 10 image.*.jpg element element &
+#		axes yes 0.8 0.02 view 60 -30
+#dump_modify	2 pad 3 element Si C
+
+#dump		3 all movie 10 movie.mpg element element &
+#		axes yes 0.8 0.02 view 60 -30
+#dump_modify	3 pad 3 element Si C
+
+run		100
diff -Naur lammps-23Jun17/examples/meam/in.meamc.shear lammps-6Jul17/examples/meam/in.meamc.shear
--- lammps-23Jun17/examples/meam/in.meamc.shear	1969-12-31 17:00:00.000000000 -0700
+++ lammps-6Jul17/examples/meam/in.meamc.shear	2017-07-03 12:30:34.524715000 -0600
@@ -0,0 +1,79 @@
+# 3d metal shear simulation
+
+units		metal
+boundary	s s p
+
+atom_style	atomic
+lattice		fcc 3.52
+region		box block 0 16.0 0 10.0 0 2.828427
+create_box	3 box
+
+lattice		fcc 3.52 orient	x 1 0 0 orient y 0 1 1 orient z 0 -1 1 &
+		origin 0.5 0 0 
+create_atoms	1 box
+
+pair_style	meam/c
+pair_coeff	* * library.meam Ni4 Ni.meam Ni4 Ni4 Ni4
+
+neighbor	0.3 bin
+neigh_modify	delay 5
+
+region		lower block INF INF INF 0.9 INF INF
+region		upper block INF INF 6.1 INF INF INF
+group		lower region lower
+group		upper region upper
+group		boundary union lower upper
+group		mobile subtract all boundary
+
+set		group lower type 2
+set		group upper type 3
+
+# void
+
+#region		void cylinder z 8 5 2.5 INF INF
+#delete_atoms	region void
+
+# temp controllers
+
+compute		new3d mobile temp
+compute		new2d mobile temp/partial 0 1 1
+
+# equilibrate
+
+velocity	mobile create 300.0 5812775 temp new3d
+fix		1 all nve
+fix		2 boundary setforce 0.0 0.0 0.0
+
+fix		3 mobile temp/rescale 10 300.0 300.0 10.0 1.0
+fix_modify	3 temp new3d
+
+thermo		25
+thermo_modify	temp new3d
+
+timestep	0.001
+run		100
+
+# shear
+
+velocity	upper set 1.0 0 0
+velocity	mobile ramp vx 0.0 1.0 y 1.4 8.6 sum yes
+
+unfix		3
+fix		3 mobile temp/rescale 10 300.0 300.0 10.0 1.0
+fix_modify	3 temp new2d
+
+#dump		1 all atom 500 dump.meam.shear
+
+#dump		2 all image 100 image.*.jpg type type &
+#		axes yes 0.8 0.02 view 0 0 zoom 1.5 up 0 1 0 adiam 2.0
+#dump_modify	2 pad 4
+
+#dump		3 all movie 100 movie.mpg type type &
+#		axes yes 0.8 0.02 view 0 0 zoom 1.5 up 0 1 0 adiam 2.0
+#dump_modify	3 pad 4
+
+thermo		100
+thermo_modify	temp new2d
+
+reset_timestep	0
+run		3000
diff -Naur lammps-23Jun17/examples/meam/log.19May17.meam.g++.1 lammps-6Jul17/examples/meam/log.19May17.meam.g++.1
--- lammps-23Jun17/examples/meam/log.19May17.meam.g++.1	1969-12-31 17:00:00.000000000 -0700
+++ lammps-6Jul17/examples/meam/log.19May17.meam.g++.1	2017-07-03 12:30:34.524715000 -0600
@@ -0,0 +1,95 @@
+LAMMPS (19 May 2017)
+  using 1 OpenMP thread(s) per MPI task
+# Test of MEAM potential for SiC system
+
+units		metal
+boundary	p p p
+
+atom_style	atomic
+
+read_data	data.meam
+  orthogonal box = (-6 -6 -6) to (5.97232 5.97232 5.97232)
+  1 by 1 by 1 MPI processor grid
+  reading atoms ...
+  128 atoms
+
+pair_style	meam
+pair_coeff	* * library.meam Si C SiC.meam Si C
+Reading potential file library.meam with DATE: 2012-06-29
+Reading potential file SiC.meam with DATE: 2007-06-11
+
+neighbor	0.3 bin
+neigh_modify	delay 10
+
+fix		1 all nve
+thermo		10
+timestep	0.001
+
+#dump		1 all atom 50 dump.meam
+
+#dump		2 all image 10 image.*.jpg element element #		axes yes 0.8 0.02 view 60 -30
+#dump_modify	2 pad 3 element Si C
+
+#dump		3 all movie 10 movie.mpg element element #		axes yes 0.8 0.02 view 60 -30
+#dump_modify	3 pad 3 element Si C
+
+run		100
+Neighbor list info ...
+  update every 1 steps, delay 10 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 4.3
+  ghost atom cutoff = 4.3
+  binsize = 2.15, bins = 6 6 6
+  2 neighbor lists, perpetual/occasional/extra = 2 0 0
+  (1) pair meam, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+  (2) pair meam, perpetual, half/full from (1)
+      attributes: half, newton on
+      pair build: halffull/newton
+      stencil: none
+      bin: none
+Per MPI rank memory allocation (min/avg/max) = 8.103 | 8.103 | 8.103 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0            0   -636.38121            0   -636.38121   -76571.819 
+      10    1807.8862   -666.21959            0   -636.54126   -150571.49 
+      20    1932.4467    -668.2581            0   -636.53498   -120223.52 
+      30    1951.3652   -668.58139            0   -636.54771    -100508.4 
+      40    2172.5974   -672.22715            0    -636.5617   -110753.34 
+      50    2056.9149   -670.33108            0   -636.56468   -105418.07 
+      60    1947.9564   -668.52788            0   -636.55015   -111413.04 
+      70    1994.7712   -669.28849            0   -636.54225   -109645.76 
+      80    2126.0903   -671.43755            0   -636.53557   -97475.831 
+      90     2065.755    -670.4349            0   -636.52338   -95858.837 
+     100    2051.4553   -670.20799            0   -636.53122    -107068.9 
+Loop time of 0.0864418 on 1 procs for 100 steps with 128 atoms
+
+Performance: 99.952 ns/day, 0.240 hours/ns, 1156.848 timesteps/s
+99.6% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.082592   | 0.082592   | 0.082592   |   0.0 | 95.55
+Neigh   | 0.0028124  | 0.0028124  | 0.0028124  |   0.0 |  3.25
+Comm    | 0.00049043 | 0.00049043 | 0.00049043 |   0.0 |  0.57
+Output  | 0.00014329 | 0.00014329 | 0.00014329 |   0.0 |  0.17
+Modify  | 0.00025415 | 0.00025415 | 0.00025415 |   0.0 |  0.29
+Other   |            | 0.0001497  |            |       |  0.17
+
+Nlocal:    128 ave 128 max 128 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    543 ave 543 max 543 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    1526 ave 1526 max 1526 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+FullNghs:  3052 ave 3052 max 3052 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 3052
+Ave neighs/atom = 23.8438
+Neighbor list builds = 10
+Dangerous builds = 10
+Total wall time: 0:00:00
diff -Naur lammps-23Jun17/examples/meam/log.19May17.meam.g++.4 lammps-6Jul17/examples/meam/log.19May17.meam.g++.4
--- lammps-23Jun17/examples/meam/log.19May17.meam.g++.4	1969-12-31 17:00:00.000000000 -0700
+++ lammps-6Jul17/examples/meam/log.19May17.meam.g++.4	2017-07-03 12:30:34.524715000 -0600
@@ -0,0 +1,95 @@
+LAMMPS (19 May 2017)
+  using 1 OpenMP thread(s) per MPI task
+# Test of MEAM potential for SiC system
+
+units		metal
+boundary	p p p
+
+atom_style	atomic
+
+read_data	data.meam
+  orthogonal box = (-6 -6 -6) to (5.97232 5.97232 5.97232)
+  1 by 2 by 2 MPI processor grid
+  reading atoms ...
+  128 atoms
+
+pair_style	meam
+pair_coeff	* * library.meam Si C SiC.meam Si C
+Reading potential file library.meam with DATE: 2012-06-29
+Reading potential file SiC.meam with DATE: 2007-06-11
+
+neighbor	0.3 bin
+neigh_modify	delay 10
+
+fix		1 all nve
+thermo		10
+timestep	0.001
+
+#dump		1 all atom 50 dump.meam
+
+#dump		2 all image 10 image.*.jpg element element #		axes yes 0.8 0.02 view 60 -30
+#dump_modify	2 pad 3 element Si C
+
+#dump		3 all movie 10 movie.mpg element element #		axes yes 0.8 0.02 view 60 -30
+#dump_modify	3 pad 3 element Si C
+
+run		100
+Neighbor list info ...
+  update every 1 steps, delay 10 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 4.3
+  ghost atom cutoff = 4.3
+  binsize = 2.15, bins = 6 6 6
+  2 neighbor lists, perpetual/occasional/extra = 2 0 0
+  (1) pair meam, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+  (2) pair meam, perpetual, half/full from (1)
+      attributes: half, newton on
+      pair build: halffull/newton
+      stencil: none
+      bin: none
+Per MPI rank memory allocation (min/avg/max) = 8.024 | 8.026 | 8.027 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0            0   -636.38121            0   -636.38121   -76571.819 
+      10    1807.8862   -666.21959            0   -636.54126   -150571.49 
+      20    1932.4467    -668.2581            0   -636.53498   -120223.52 
+      30    1951.3652   -668.58139            0   -636.54771    -100508.4 
+      40    2172.5974   -672.22715            0    -636.5617   -110753.34 
+      50    2056.9149   -670.33108            0   -636.56468   -105418.07 
+      60    1947.9564   -668.52788            0   -636.55015   -111413.04 
+      70    1994.7712   -669.28849            0   -636.54225   -109645.76 
+      80    2126.0903   -671.43755            0   -636.53557   -97475.831 
+      90     2065.755    -670.4349            0   -636.52338   -95858.837 
+     100    2051.4553   -670.20799            0   -636.53122    -107068.9 
+Loop time of 0.0389078 on 4 procs for 100 steps with 128 atoms
+
+Performance: 222.063 ns/day, 0.108 hours/ns, 2570.177 timesteps/s
+99.4% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.031958   | 0.033267   | 0.034691   |   0.6 | 85.50
+Neigh   | 0.00079155 | 0.00086409 | 0.00098801 |   0.0 |  2.22
+Comm    | 0.0025704  | 0.0041765  | 0.005573   |   1.9 | 10.73
+Output  | 0.0002749  | 0.00029588 | 0.00033569 |   0.0 |  0.76
+Modify  | 9.4891e-05 | 0.00010347 | 0.00011587 |   0.0 |  0.27
+Other   |            | 0.000201   |            |       |  0.52
+
+Nlocal:    32 ave 36 max 30 min
+Histogram: 1 2 0 0 0 0 0 0 0 1
+Nghost:    293.75 ave 305 max 285 min
+Histogram: 2 0 0 0 0 0 0 1 0 1
+Neighs:    381.5 ave 413 max 334 min
+Histogram: 1 0 0 0 1 0 0 0 0 2
+FullNghs:  763 ave 866 max 678 min
+Histogram: 1 0 1 0 0 1 0 0 0 1
+
+Total # of neighbors = 3052
+Ave neighs/atom = 23.8438
+Neighbor list builds = 10
+Dangerous builds = 10
+Total wall time: 0:00:00
diff -Naur lammps-23Jun17/examples/meam/log.19May17.meam.shear.g++.1 lammps-6Jul17/examples/meam/log.19May17.meam.shear.g++.1
--- lammps-23Jun17/examples/meam/log.19May17.meam.shear.g++.1	1969-12-31 17:00:00.000000000 -0700
+++ lammps-6Jul17/examples/meam/log.19May17.meam.shear.g++.1	2017-07-03 12:30:34.524715000 -0600
@@ -0,0 +1,207 @@
+LAMMPS (19 May 2017)
+  using 1 OpenMP thread(s) per MPI task
+# 3d metal shear simulation
+
+units		metal
+boundary	s s p
+
+atom_style	atomic
+lattice		fcc 3.52
+Lattice spacing in x,y,z = 3.52 3.52 3.52
+region		box block 0 16.0 0 10.0 0 2.828427
+create_box	3 box
+Created orthogonal box = (0 0 0) to (56.32 35.2 9.95606)
+  1 by 1 by 1 MPI processor grid
+
+lattice		fcc 3.52 orient	x 1 0 0 orient y 0 1 1 orient z 0 -1 1 		origin 0.5 0 0
+Lattice spacing in x,y,z = 3.52 4.97803 4.97803
+create_atoms	1 box
+Created 1912 atoms
+
+pair_style	meam
+pair_coeff	* * library.meam Ni4 Ni.meam Ni4 Ni4 Ni4
+Reading potential file library.meam with DATE: 2012-06-29
+Reading potential file Ni.meam with DATE: 2007-06-11
+
+neighbor	0.3 bin
+neigh_modify	delay 5
+
+region		lower block INF INF INF 0.9 INF INF
+region		upper block INF INF 6.1 INF INF INF
+group		lower region lower
+264 atoms in group lower
+group		upper region upper
+264 atoms in group upper
+group		boundary union lower upper
+528 atoms in group boundary
+group		mobile subtract all boundary
+1384 atoms in group mobile
+
+set		group lower type 2
+  264 settings made for type
+set		group upper type 3
+  264 settings made for type
+
+# void
+
+#region		void cylinder z 8 5 2.5 INF INF
+#delete_atoms	region void
+
+# temp controllers
+
+compute		new3d mobile temp
+compute		new2d mobile temp/partial 0 1 1
+
+# equilibrate
+
+velocity	mobile create 300.0 5812775 temp new3d
+fix		1 all nve
+fix		2 boundary setforce 0.0 0.0 0.0
+
+fix		3 mobile temp/rescale 10 300.0 300.0 10.0 1.0
+fix_modify	3 temp new3d
+
+thermo		25
+thermo_modify	temp new3d
+WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:489)
+
+timestep	0.001
+run		100
+Neighbor list info ...
+  update every 1 steps, delay 5 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 4.3
+  ghost atom cutoff = 4.3
+  binsize = 2.15, bins = 27 17 5
+  2 neighbor lists, perpetual/occasional/extra = 2 0 0
+  (1) pair meam, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+  (2) pair meam, perpetual, half/full from (1)
+      attributes: half, newton on
+      pair build: halffull/newton
+      stencil: none
+      bin: none
+Per MPI rank memory allocation (min/avg/max) = 9.788 | 9.788 | 9.788 Mbytes
+Step Temp E_pair E_mol TotEng Press Volume 
+       0          300   -8232.7767            0   -8179.1466    1386.6643     19547.02 
+      25    222.78953   -8188.1215            0   -8148.2941    9095.9008     19547.02 
+      50          300   -8149.7654            0   -8096.1353    10633.141    19684.382 
+      75    304.80657   -8163.4557            0   -8108.9665     7045.457    19759.745 
+     100          300   -8173.6884            0   -8120.0584     5952.521    19886.589 
+Loop time of 1.58103 on 1 procs for 100 steps with 1912 atoms
+
+Performance: 5.465 ns/day, 4.392 hours/ns, 63.250 timesteps/s
+99.6% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 1.5561     | 1.5561     | 1.5561     |   0.0 | 98.42
+Neigh   | 0.018544   | 0.018544   | 0.018544   |   0.0 |  1.17
+Comm    | 0.0013864  | 0.0013864  | 0.0013864  |   0.0 |  0.09
+Output  | 0.00011396 | 0.00011396 | 0.00011396 |   0.0 |  0.01
+Modify  | 0.0038245  | 0.0038245  | 0.0038245  |   0.0 |  0.24
+Other   |            | 0.001096   |            |       |  0.07
+
+Nlocal:    1912 ave 1912 max 1912 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    1672 ave 1672 max 1672 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    23806 ave 23806 max 23806 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+FullNghs:  47612 ave 47612 max 47612 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 47612
+Ave neighs/atom = 24.9017
+Neighbor list builds = 5
+Dangerous builds = 0
+
+# shear
+
+velocity	upper set 1.0 0 0
+velocity	mobile ramp vx 0.0 1.0 y 1.4 8.6 sum yes
+
+unfix		3
+fix		3 mobile temp/rescale 10 300.0 300.0 10.0 1.0
+fix_modify	3 temp new2d
+
+#dump		1 all atom 500 dump.meam.shear
+
+#dump		2 all image 100 image.*.jpg type type #		axes yes 0.8 0.02 view 0 0 zoom 1.5 up 0 1 0 adiam 2.0
+#dump_modify	2 pad 4
+
+#dump		3 all movie 100 movie.mpg type type #		axes yes 0.8 0.02 view 0 0 zoom 1.5 up 0 1 0 adiam 2.0
+#dump_modify	3 pad 4
+
+thermo		100
+thermo_modify	temp new2d
+WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:489)
+
+reset_timestep	0
+run		3000
+Per MPI rank memory allocation (min/avg/max) = 9.964 | 9.964 | 9.964 Mbytes
+Step Temp E_pair E_mol TotEng Press Volume 
+       0    300.39988   -8173.6884            0   -8137.8874    4992.9811    19894.297 
+     100    292.06374   -8177.7096            0   -8142.9021    2568.3762     19871.53 
+     200    306.69894   -8177.1357            0    -8140.584    874.24259     20047.24 
+     300    295.68229   -8172.9213            0   -8137.6825   -1049.0836    20091.759 
+     400    308.99958   -8169.6355            0   -8132.8096   -1785.9335    20121.698 
+     500    303.85723    -8163.984            0   -8127.7709   -150.56268    20183.813 
+     600          300   -8157.7632            0   -8122.0099    1492.5742    20279.887 
+     700          300   -8148.1328            0   -8112.3794    3506.9234    20435.302 
+     800          300   -8139.1821            0   -8103.4288    3628.3957    20509.519 
+     900    305.03425   -8126.7734            0   -8090.4201    5316.2206    20638.992 
+    1000    304.00321   -8112.1616            0   -8075.9311    7441.9638    20767.243 
+    1100    304.14047   -8096.5041            0   -8060.2573    9646.6976    20888.167 
+    1200    302.78457   -8080.5931            0   -8044.5079    11516.209    20995.917 
+    1300    308.67054   -8061.6724            0   -8024.8857    11496.479    21130.013 
+    1400     309.8301     -8046.27            0   -8009.3452    12926.835    21247.271 
+    1500          300   -8035.0321            0   -7999.2788    15346.455    21370.637 
+    1600          300   -8030.6657            0   -7994.9123    14802.869    21496.446 
+    1700          300   -8024.5251            0   -7988.7718    13176.923    21611.262 
+    1800          300   -8022.9963            0    -7987.243    10260.665    21741.956 
+    1900          300   -8028.0522            0   -7992.2988    6955.1367    21867.765 
+    2000          300   -8037.2708            0   -8001.5175    3520.3749    21987.467 
+    2100          300   -8035.9945            0   -8000.2412    3237.6121    22109.611 
+    2200          300   -8036.1882            0   -8000.4348    4295.1386    22223.205 
+    2300          300   -8032.7689            0   -7997.0155    6231.2346    22355.121 
+    2400          300   -8034.6621            0   -7998.9088    8585.3799    22468.716 
+    2500          300   -8031.7774            0   -7996.0241    11627.871    22587.196 
+    2600          300    -8024.032            0   -7988.2786     16254.69    22716.669 
+    2700    308.64215    -8017.407            0   -7980.6237    18440.226    22835.149 
+    2800          300   -8015.7348            0   -7979.9814    17601.716    22957.293 
+    2900    305.82558   -8013.7448            0   -7977.2972    14123.494    23089.209 
+    3000          300   -8011.0289            0   -7975.2755    9957.2884    23205.247 
+Loop time of 51.9315 on 1 procs for 3000 steps with 1912 atoms
+
+Performance: 4.991 ns/day, 4.808 hours/ns, 57.768 timesteps/s
+99.7% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 50.918     | 50.918     | 50.918     |   0.0 | 98.05
+Neigh   | 0.81033    | 0.81033    | 0.81033    |   0.0 |  1.56
+Comm    | 0.047331   | 0.047331   | 0.047331   |   0.0 |  0.09
+Output  | 0.0011976  | 0.0011976  | 0.0011976  |   0.0 |  0.00
+Modify  | 0.11889    | 0.11889    | 0.11889    |   0.0 |  0.23
+Other   |            | 0.03606    |            |       |  0.07
+
+Nlocal:    1912 ave 1912 max 1912 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    1672 ave 1672 max 1672 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    23557 ave 23557 max 23557 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+FullNghs:  47114 ave 47114 max 47114 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 47114
+Ave neighs/atom = 24.6412
+Neighbor list builds = 221
+Dangerous builds = 0
+Total wall time: 0:00:53
diff -Naur lammps-23Jun17/examples/meam/log.19May17.meam.shear.g++.4 lammps-6Jul17/examples/meam/log.19May17.meam.shear.g++.4
--- lammps-23Jun17/examples/meam/log.19May17.meam.shear.g++.4	1969-12-31 17:00:00.000000000 -0700
+++ lammps-6Jul17/examples/meam/log.19May17.meam.shear.g++.4	2017-07-03 12:30:34.524715000 -0600
@@ -0,0 +1,207 @@
+LAMMPS (19 May 2017)
+  using 1 OpenMP thread(s) per MPI task
+# 3d metal shear simulation
+
+units		metal
+boundary	s s p
+
+atom_style	atomic
+lattice		fcc 3.52
+Lattice spacing in x,y,z = 3.52 3.52 3.52
+region		box block 0 16.0 0 10.0 0 2.828427
+create_box	3 box
+Created orthogonal box = (0 0 0) to (56.32 35.2 9.95606)
+  2 by 2 by 1 MPI processor grid
+
+lattice		fcc 3.52 orient	x 1 0 0 orient y 0 1 1 orient z 0 -1 1 		origin 0.5 0 0
+Lattice spacing in x,y,z = 3.52 4.97803 4.97803
+create_atoms	1 box
+Created 1912 atoms
+
+pair_style	meam
+pair_coeff	* * library.meam Ni4 Ni.meam Ni4 Ni4 Ni4
+Reading potential file library.meam with DATE: 2012-06-29
+Reading potential file Ni.meam with DATE: 2007-06-11
+
+neighbor	0.3 bin
+neigh_modify	delay 5
+
+region		lower block INF INF INF 0.9 INF INF
+region		upper block INF INF 6.1 INF INF INF
+group		lower region lower
+264 atoms in group lower
+group		upper region upper
+264 atoms in group upper
+group		boundary union lower upper
+528 atoms in group boundary
+group		mobile subtract all boundary
+1384 atoms in group mobile
+
+set		group lower type 2
+  264 settings made for type
+set		group upper type 3
+  264 settings made for type
+
+# void
+
+#region		void cylinder z 8 5 2.5 INF INF
+#delete_atoms	region void
+
+# temp controllers
+
+compute		new3d mobile temp
+compute		new2d mobile temp/partial 0 1 1
+
+# equilibrate
+
+velocity	mobile create 300.0 5812775 temp new3d
+fix		1 all nve
+fix		2 boundary setforce 0.0 0.0 0.0
+
+fix		3 mobile temp/rescale 10 300.0 300.0 10.0 1.0
+fix_modify	3 temp new3d
+
+thermo		25
+thermo_modify	temp new3d
+WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:489)
+
+timestep	0.001
+run		100
+Neighbor list info ...
+  update every 1 steps, delay 5 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 4.3
+  ghost atom cutoff = 4.3
+  binsize = 2.15, bins = 27 17 5
+  2 neighbor lists, perpetual/occasional/extra = 2 0 0
+  (1) pair meam, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+  (2) pair meam, perpetual, half/full from (1)
+      attributes: half, newton on
+      pair build: halffull/newton
+      stencil: none
+      bin: none
+Per MPI rank memory allocation (min/avg/max) = 8.954 | 8.957 | 8.959 Mbytes
+Step Temp E_pair E_mol TotEng Press Volume 
+       0          300   -8232.7767            0   -8179.1466    1386.6643     19547.02 
+      25    221.59546   -8187.6813            0   -8148.0673    9100.4509     19547.02 
+      50          300   -8150.0685            0   -8096.4384    10317.407    19685.743 
+      75    307.76021   -8164.6669            0   -8109.6496    6289.7138    19757.814 
+     100          300   -8176.5141            0    -8122.884    4162.2559    19873.327 
+Loop time of 0.482293 on 4 procs for 100 steps with 1912 atoms
+
+Performance: 17.914 ns/day, 1.340 hours/ns, 207.343 timesteps/s
+98.7% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.44374    | 0.45604    | 0.46922    |   1.4 | 94.56
+Neigh   | 0.0047338  | 0.0049097  | 0.0051899  |   0.2 |  1.02
+Comm    | 0.0054841  | 0.019044   | 0.031472   |   6.9 |  3.95
+Output  | 0.00012755 | 0.00013644 | 0.00015831 |   0.0 |  0.03
+Modify  | 0.0011139  | 0.0011852  | 0.0012643  |   0.2 |  0.25
+Other   |            | 0.0009753  |            |       |  0.20
+
+Nlocal:    478 ave 492 max 465 min
+Histogram: 2 0 0 0 0 0 0 0 1 1
+Nghost:    809 ave 822 max 795 min
+Histogram: 1 1 0 0 0 0 0 0 0 2
+Neighs:    5916 ave 6133 max 5658 min
+Histogram: 1 0 0 1 0 0 0 0 1 1
+FullNghs:  11832 ave 12277 max 11299 min
+Histogram: 1 0 0 1 0 0 0 0 1 1
+
+Total # of neighbors = 47328
+Ave neighs/atom = 24.7531
+Neighbor list builds = 5
+Dangerous builds = 0
+
+# shear
+
+velocity	upper set 1.0 0 0
+velocity	mobile ramp vx 0.0 1.0 y 1.4 8.6 sum yes
+
+unfix		3
+fix		3 mobile temp/rescale 10 300.0 300.0 10.0 1.0
+fix_modify	3 temp new2d
+
+#dump		1 all atom 500 dump.meam.shear
+
+#dump		2 all image 100 image.*.jpg type type #		axes yes 0.8 0.02 view 0 0 zoom 1.5 up 0 1 0 adiam 2.0
+#dump_modify	2 pad 4
+
+#dump		3 all movie 100 movie.mpg type type #		axes yes 0.8 0.02 view 0 0 zoom 1.5 up 0 1 0 adiam 2.0
+#dump_modify	3 pad 4
+
+thermo		100
+thermo_modify	temp new2d
+WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:489)
+
+reset_timestep	0
+run		3000
+Per MPI rank memory allocation (min/avg/max) = 8.999 | 9.002 | 9.005 Mbytes
+Step Temp E_pair E_mol TotEng Press Volume 
+       0    295.32113   -8176.5141            0   -8141.3183    3169.3113     19886.93 
+     100    292.00251   -8176.5358            0   -8141.7356   -825.04802    19918.765 
+     200    306.11682   -8176.7719            0   -8140.2895   -1370.6886    19948.877 
+     300          300   -8172.6262            0   -8136.8729   -1735.9765    20085.714 
+     400    306.88489    -8168.435            0   -8131.8611   -933.02058    20117.012 
+     500    308.99003   -8166.2906            0   -8129.4658   -1049.3138    20198.256 
+     600    304.23435   -8158.0946            0   -8121.8366    583.93595    20328.848 
+     700    296.44479   -8149.7914            0   -8114.4618    1985.4155    20421.046 
+     800    307.75738   -8139.1649            0    -8102.487     4319.078    20513.183 
+     900    304.61422   -8126.9246            0   -8090.6214    6654.0963    20640.213 
+    1000          300   -8113.8464            0   -8078.0931    7760.1239    20768.465 
+    1100    300.17873   -8097.7469            0   -8061.9722     8438.126    20874.731 
+    1200    306.01441   -8083.3367            0   -8046.8665    10835.586    20994.432 
+    1300          300    -8067.022            0   -8031.2686    11216.067    21126.348 
+    1400          300    -8053.223            0   -8017.4697    10570.206    21253.378 
+    1500          300   -8043.4849            0   -8007.7315    11360.766    21375.523 
+    1600          300    -8034.621            0   -7998.8676    11371.584    21498.889 
+    1700          300   -8028.6783            0    -7992.925     9596.524    21613.705 
+    1800          300   -8033.0818            0   -7997.3285    8767.2651    21743.178 
+    1900    303.18912    -8035.194            0   -7999.0606    8059.9558    21859.215 
+    2000          300   -8025.0327            0   -7989.2794    9305.7521    21980.138 
+    2100          300   -8041.4626            0   -8005.7092    6623.8789     22108.39 
+    2200          300   -8040.3133            0   -8004.5599    7512.9368    22225.648 
+    2300          300   -8055.6567            0   -8019.9033     8281.354    22344.128 
+    2400    304.05922    -8050.289            0   -8014.0518    11964.826    22476.044 
+    2500    305.75646   -8037.0481            0   -8000.6087    16594.032    22595.746 
+    2600    307.71105   -8031.2253            0   -7994.5529    18381.745    22708.119 
+    2700      307.397   -8026.5338            0   -7989.8988    13944.653    22829.042 
+    2800     309.3455   -8020.2305            0   -7983.3634    7037.4046    22954.851 
+    2900     301.2859   -8010.4731            0   -7974.5665    3843.8972    23072.109 
+    3000    303.29908   -8000.0395            0   -7963.8929    364.90172     23207.69 
+Loop time of 14.5278 on 4 procs for 3000 steps with 1912 atoms
+
+Performance: 17.842 ns/day, 1.345 hours/ns, 206.500 timesteps/s
+99.4% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 13.872     | 13.929     | 13.998     |   1.4 | 95.88
+Neigh   | 0.20891    | 0.21114    | 0.21272    |   0.3 |  1.45
+Comm    | 0.25364    | 0.32377    | 0.37706    |   8.9 |  2.23
+Output  | 0.0011427  | 0.0012097  | 0.0013931  |   0.3 |  0.01
+Modify  | 0.033687   | 0.033991   | 0.034694   |   0.2 |  0.23
+Other   |            | 0.02871    |            |       |  0.20
+
+Nlocal:    478 ave 509 max 445 min
+Histogram: 1 1 0 0 0 0 0 0 1 1
+Nghost:    804 ave 845 max 759 min
+Histogram: 1 1 0 0 0 0 0 0 1 1
+Neighs:    5827 ave 6177 max 5496 min
+Histogram: 1 0 0 1 0 1 0 0 0 1
+FullNghs:  11654 ave 12330 max 11039 min
+Histogram: 1 0 0 1 0 1 0 0 0 1
+
+Total # of neighbors = 46616
+Ave neighs/atom = 24.3808
+Neighbor list builds = 223
+Dangerous builds = 0
+Total wall time: 0:00:15
diff -Naur lammps-23Jun17/examples/meam/log.19May17.meamc.g++.1 lammps-6Jul17/examples/meam/log.19May17.meamc.g++.1
--- lammps-23Jun17/examples/meam/log.19May17.meamc.g++.1	1969-12-31 17:00:00.000000000 -0700
+++ lammps-6Jul17/examples/meam/log.19May17.meamc.g++.1	2017-07-03 12:30:34.524715000 -0600
@@ -0,0 +1,95 @@
+LAMMPS (19 May 2017)
+  using 1 OpenMP thread(s) per MPI task
+# Test of MEAM potential for SiC system
+
+units		metal
+boundary	p p p
+
+atom_style	atomic
+
+read_data	data.meam
+  orthogonal box = (-6 -6 -6) to (5.97232 5.97232 5.97232)
+  1 by 1 by 1 MPI processor grid
+  reading atoms ...
+  128 atoms
+
+pair_style	meam/c
+pair_coeff	* * library.meam Si C SiC.meam Si C
+Reading potential file library.meam with DATE: 2012-06-29
+Reading potential file SiC.meam with DATE: 2007-06-11
+
+neighbor	0.3 bin
+neigh_modify	delay 10
+
+fix		1 all nve
+thermo		10
+timestep	0.001
+
+#dump		1 all atom 50 dump.meam
+
+#dump		2 all image 10 image.*.jpg element element #		axes yes 0.8 0.02 view 60 -30
+#dump_modify	2 pad 3 element Si C
+
+#dump		3 all movie 10 movie.mpg element element #		axes yes 0.8 0.02 view 60 -30
+#dump_modify	3 pad 3 element Si C
+
+run		100
+Neighbor list info ...
+  update every 1 steps, delay 10 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 4.3
+  ghost atom cutoff = 4.3
+  binsize = 2.15, bins = 6 6 6
+  2 neighbor lists, perpetual/occasional/extra = 2 0 0
+  (1) pair meam/c, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+  (2) pair meam/c, perpetual, half/full from (1)
+      attributes: half, newton on
+      pair build: halffull/newton
+      stencil: none
+      bin: none
+Per MPI rank memory allocation (min/avg/max) = 8.103 | 8.103 | 8.103 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0            0   -636.38121            0   -636.38121   -76571.819 
+      10    1807.8862   -666.21959            0   -636.54126   -150571.49 
+      20    1932.4467    -668.2581            0   -636.53498   -120223.52 
+      30    1951.3652   -668.58139            0   -636.54771    -100508.4 
+      40    2172.5974   -672.22715            0    -636.5617   -110753.34 
+      50    2056.9149   -670.33108            0   -636.56468   -105418.07 
+      60    1947.9564   -668.52788            0   -636.55015   -111413.04 
+      70    1994.7712   -669.28849            0   -636.54225   -109645.76 
+      80    2126.0903   -671.43755            0   -636.53557   -97475.832 
+      90    2065.7549    -670.4349            0   -636.52338   -95858.836 
+     100    2051.4553   -670.20799            0   -636.53122   -107068.89 
+Loop time of 0.0778153 on 1 procs for 100 steps with 128 atoms
+
+Performance: 111.032 ns/day, 0.216 hours/ns, 1285.094 timesteps/s
+99.5% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.073801   | 0.073801   | 0.073801   |   0.0 | 94.84
+Neigh   | 0.0029731  | 0.0029731  | 0.0029731  |   0.0 |  3.82
+Comm    | 0.00047708 | 0.00047708 | 0.00047708 |   0.0 |  0.61
+Output  | 0.00015664 | 0.00015664 | 0.00015664 |   0.0 |  0.20
+Modify  | 0.00025702 | 0.00025702 | 0.00025702 |   0.0 |  0.33
+Other   |            | 0.0001504  |            |       |  0.19
+
+Nlocal:    128 ave 128 max 128 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    543 ave 543 max 543 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    1526 ave 1526 max 1526 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+FullNghs:  3052 ave 3052 max 3052 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 3052
+Ave neighs/atom = 23.8438
+Neighbor list builds = 10
+Dangerous builds = 10
+Total wall time: 0:00:00
diff -Naur lammps-23Jun17/examples/meam/log.19May17.meamc.g++.4 lammps-6Jul17/examples/meam/log.19May17.meamc.g++.4
--- lammps-23Jun17/examples/meam/log.19May17.meamc.g++.4	1969-12-31 17:00:00.000000000 -0700
+++ lammps-6Jul17/examples/meam/log.19May17.meamc.g++.4	2017-07-03 12:30:34.524715000 -0600
@@ -0,0 +1,95 @@
+LAMMPS (19 May 2017)
+  using 1 OpenMP thread(s) per MPI task
+# Test of MEAM potential for SiC system
+
+units		metal
+boundary	p p p
+
+atom_style	atomic
+
+read_data	data.meam
+  orthogonal box = (-6 -6 -6) to (5.97232 5.97232 5.97232)
+  1 by 2 by 2 MPI processor grid
+  reading atoms ...
+  128 atoms
+
+pair_style	meam/c
+pair_coeff	* * library.meam Si C SiC.meam Si C
+Reading potential file library.meam with DATE: 2012-06-29
+Reading potential file SiC.meam with DATE: 2007-06-11
+
+neighbor	0.3 bin
+neigh_modify	delay 10
+
+fix		1 all nve
+thermo		10
+timestep	0.001
+
+#dump		1 all atom 50 dump.meam
+
+#dump		2 all image 10 image.*.jpg element element #		axes yes 0.8 0.02 view 60 -30
+#dump_modify	2 pad 3 element Si C
+
+#dump		3 all movie 10 movie.mpg element element #		axes yes 0.8 0.02 view 60 -30
+#dump_modify	3 pad 3 element Si C
+
+run		100
+Neighbor list info ...
+  update every 1 steps, delay 10 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 4.3
+  ghost atom cutoff = 4.3
+  binsize = 2.15, bins = 6 6 6
+  2 neighbor lists, perpetual/occasional/extra = 2 0 0
+  (1) pair meam/c, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+  (2) pair meam/c, perpetual, half/full from (1)
+      attributes: half, newton on
+      pair build: halffull/newton
+      stencil: none
+      bin: none
+Per MPI rank memory allocation (min/avg/max) = 8.024 | 8.026 | 8.027 Mbytes
+Step Temp E_pair E_mol TotEng Press 
+       0            0   -636.38121            0   -636.38121   -76571.819 
+      10    1807.8862   -666.21959            0   -636.54126   -150571.49 
+      20    1932.4467    -668.2581            0   -636.53498   -120223.52 
+      30    1951.3652   -668.58139            0   -636.54771    -100508.4 
+      40    2172.5974   -672.22715            0    -636.5617   -110753.34 
+      50    2056.9149   -670.33108            0   -636.56468   -105418.07 
+      60    1947.9564   -668.52788            0   -636.55015   -111413.04 
+      70    1994.7712   -669.28849            0   -636.54225   -109645.76 
+      80    2126.0903   -671.43755            0   -636.53557   -97475.832 
+      90    2065.7549    -670.4349            0   -636.52338   -95858.836 
+     100    2051.4553   -670.20799            0   -636.53122   -107068.89 
+Loop time of 0.037066 on 4 procs for 100 steps with 128 atoms
+
+Performance: 233.097 ns/day, 0.103 hours/ns, 2697.887 timesteps/s
+97.4% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.029985   | 0.031596   | 0.033021   |   0.8 | 85.24
+Neigh   | 0.0007906  | 0.00085384 | 0.00088596 |   0.0 |  2.30
+Comm    | 0.0025654  | 0.0040313  | 0.0057514  |   2.2 | 10.88
+Output  | 0.00027013 | 0.00029153 | 0.00033426 |   0.0 |  0.79
+Modify  | 9.5367e-05 | 0.00010639 | 0.00012016 |   0.0 |  0.29
+Other   |            | 0.0001866  |            |       |  0.50
+
+Nlocal:    32 ave 36 max 30 min
+Histogram: 1 2 0 0 0 0 0 0 0 1
+Nghost:    293.75 ave 305 max 285 min
+Histogram: 2 0 0 0 0 0 0 1 0 1
+Neighs:    381.5 ave 413 max 334 min
+Histogram: 1 0 0 0 1 0 0 0 0 2
+FullNghs:  763 ave 866 max 678 min
+Histogram: 1 0 1 0 0 1 0 0 0 1
+
+Total # of neighbors = 3052
+Ave neighs/atom = 23.8438
+Neighbor list builds = 10
+Dangerous builds = 10
+Total wall time: 0:00:00
diff -Naur lammps-23Jun17/examples/meam/log.19May17.meamc.shear.g++.1 lammps-6Jul17/examples/meam/log.19May17.meamc.shear.g++.1
--- lammps-23Jun17/examples/meam/log.19May17.meamc.shear.g++.1	1969-12-31 17:00:00.000000000 -0700
+++ lammps-6Jul17/examples/meam/log.19May17.meamc.shear.g++.1	2017-07-03 12:30:34.524715000 -0600
@@ -0,0 +1,207 @@
+LAMMPS (19 May 2017)
+  using 1 OpenMP thread(s) per MPI task
+# 3d metal shear simulation
+
+units		metal
+boundary	s s p
+
+atom_style	atomic
+lattice		fcc 3.52
+Lattice spacing in x,y,z = 3.52 3.52 3.52
+region		box block 0 16.0 0 10.0 0 2.828427
+create_box	3 box
+Created orthogonal box = (0 0 0) to (56.32 35.2 9.95606)
+  1 by 1 by 1 MPI processor grid
+
+lattice		fcc 3.52 orient	x 1 0 0 orient y 0 1 1 orient z 0 -1 1 		origin 0.5 0 0
+Lattice spacing in x,y,z = 3.52 4.97803 4.97803
+create_atoms	1 box
+Created 1912 atoms
+
+pair_style	meam/c
+pair_coeff	* * library.meam Ni4 Ni.meam Ni4 Ni4 Ni4
+Reading potential file library.meam with DATE: 2012-06-29
+Reading potential file Ni.meam with DATE: 2007-06-11
+
+neighbor	0.3 bin
+neigh_modify	delay 5
+
+region		lower block INF INF INF 0.9 INF INF
+region		upper block INF INF 6.1 INF INF INF
+group		lower region lower
+264 atoms in group lower
+group		upper region upper
+264 atoms in group upper
+group		boundary union lower upper
+528 atoms in group boundary
+group		mobile subtract all boundary
+1384 atoms in group mobile
+
+set		group lower type 2
+  264 settings made for type
+set		group upper type 3
+  264 settings made for type
+
+# void
+
+#region		void cylinder z 8 5 2.5 INF INF
+#delete_atoms	region void
+
+# temp controllers
+
+compute		new3d mobile temp
+compute		new2d mobile temp/partial 0 1 1
+
+# equilibrate
+
+velocity	mobile create 300.0 5812775 temp new3d
+fix		1 all nve
+fix		2 boundary setforce 0.0 0.0 0.0
+
+fix		3 mobile temp/rescale 10 300.0 300.0 10.0 1.0
+fix_modify	3 temp new3d
+
+thermo		25
+thermo_modify	temp new3d
+WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:489)
+
+timestep	0.001
+run		100
+Neighbor list info ...
+  update every 1 steps, delay 5 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 4.3
+  ghost atom cutoff = 4.3
+  binsize = 2.15, bins = 27 17 5
+  2 neighbor lists, perpetual/occasional/extra = 2 0 0
+  (1) pair meam/c, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+  (2) pair meam/c, perpetual, half/full from (1)
+      attributes: half, newton on
+      pair build: halffull/newton
+      stencil: none
+      bin: none
+Per MPI rank memory allocation (min/avg/max) = 9.788 | 9.788 | 9.788 Mbytes
+Step Temp E_pair E_mol TotEng Press Volume 
+       0          300   -8232.7767            0   -8179.1466    1386.6643     19547.02 
+      25    222.78953   -8188.1215            0   -8148.2941    9095.9003     19547.02 
+      50          300   -8149.7654            0   -8096.1353    10633.139    19684.382 
+      75    304.80657   -8163.4557            0   -8108.9665    7045.4555    19759.745 
+     100          300   -8173.6884            0   -8120.0584    5952.5197    19886.589 
+Loop time of 1.46986 on 1 procs for 100 steps with 1912 atoms
+
+Performance: 5.878 ns/day, 4.083 hours/ns, 68.034 timesteps/s
+99.6% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 1.445      | 1.445      | 1.445      |   0.0 | 98.31
+Neigh   | 0.018564   | 0.018564   | 0.018564   |   0.0 |  1.26
+Comm    | 0.0012956  | 0.0012956  | 0.0012956  |   0.0 |  0.09
+Output  | 0.00012612 | 0.00012612 | 0.00012612 |   0.0 |  0.01
+Modify  | 0.0038197  | 0.0038197  | 0.0038197  |   0.0 |  0.26
+Other   |            | 0.001095   |            |       |  0.07
+
+Nlocal:    1912 ave 1912 max 1912 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    1672 ave 1672 max 1672 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    23806 ave 23806 max 23806 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+FullNghs:  47612 ave 47612 max 47612 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 47612
+Ave neighs/atom = 24.9017
+Neighbor list builds = 5
+Dangerous builds = 0
+
+# shear
+
+velocity	upper set 1.0 0 0
+velocity	mobile ramp vx 0.0 1.0 y 1.4 8.6 sum yes
+
+unfix		3
+fix		3 mobile temp/rescale 10 300.0 300.0 10.0 1.0
+fix_modify	3 temp new2d
+
+#dump		1 all atom 500 dump.meam.shear
+
+#dump		2 all image 100 image.*.jpg type type #		axes yes 0.8 0.02 view 0 0 zoom 1.5 up 0 1 0 adiam 2.0
+#dump_modify	2 pad 4
+
+#dump		3 all movie 100 movie.mpg type type #		axes yes 0.8 0.02 view 0 0 zoom 1.5 up 0 1 0 adiam 2.0
+#dump_modify	3 pad 4
+
+thermo		100
+thermo_modify	temp new2d
+WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:489)
+
+reset_timestep	0
+run		3000
+Per MPI rank memory allocation (min/avg/max) = 9.964 | 9.964 | 9.964 Mbytes
+Step Temp E_pair E_mol TotEng Press Volume 
+       0    300.39988   -8173.6884            0   -8137.8874    4992.9799    19894.297 
+     100    292.06374   -8177.7096            0   -8142.9021    2568.3756     19871.53 
+     200    306.69894   -8177.1357            0    -8140.584    874.24118     20047.24 
+     300    295.68216   -8172.9213            0   -8137.6825   -1049.0799    20091.759 
+     400    308.99955   -8169.6355            0   -8132.8096   -1785.9554    20121.698 
+     500    303.85688   -8163.9842            0   -8127.7712   -150.60892    20183.813 
+     600          300   -8157.7627            0   -8122.0093    1492.8514    20279.887 
+     700          300   -8148.1314            0   -8112.3781    3507.1949    20435.297 
+     800          300   -8139.1805            0   -8103.4272    3628.5908    20509.519 
+     900    305.03217   -8126.7741            0    -8090.421    5313.7881    20638.992 
+    1000     303.7648   -8112.1574            0   -8075.9554    7433.3181    20767.243 
+    1100    302.39719   -8096.1399            0   -8060.1009    9681.7685    20888.167 
+    1200    304.04919   -8080.7022            0   -8044.4663    11621.974    21011.532 
+    1300    303.56395   -8062.0984            0   -8025.9203    11410.793    21125.127 
+    1400    309.92338   -8046.0008            0   -8009.0648    12408.158     21246.05 
+    1500          300   -8034.7094            0    -7998.956    14845.312    21363.308 
+    1600          300   -8028.4585            0   -7992.7051    15120.908    21489.117 
+    1700    308.23904   -8015.9618            0   -7979.2265     14714.73    21612.483 
+    1800          300   -8013.5458            0   -7977.7924    11955.065     21737.07 
+    1900          300   -8012.2984            0    -7976.545    6667.1353    21854.329 
+    2000          300   -8025.6019            0   -7989.8485    2006.6545    21981.359 
+    2100          300   -8027.6823            0   -7991.9289     16.47633    22109.611 
+    2200          300   -8029.6905            0   -7993.9372   -603.98293    22224.427 
+    2300          300   -8033.2663            0    -7997.513   -464.68645    22351.457 
+    2400          300   -8040.6863            0   -8004.9329   -640.54641    22467.494 
+    2500          300   -8037.0332            0   -8001.2799    1504.2444    22587.196 
+    2600          300   -8036.0909            0   -8000.3375    4190.2052    22708.119 
+    2700    308.97892   -8028.5269            0   -7991.7035    5755.7418    22832.706 
+    2800    305.27189   -8023.8286            0   -7987.4469    2611.7551    22962.179 
+    2900    301.94251   -8017.4523            0   -7981.4675    358.11928    23078.216 
+    3000    305.67682    -8009.853            0   -7973.4231    -2345.487    23197.918 
+Loop time of 48.351 on 1 procs for 3000 steps with 1912 atoms
+
+Performance: 5.361 ns/day, 4.477 hours/ns, 62.046 timesteps/s
+99.7% CPU use with 1 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 47.356     | 47.356     | 47.356     |   0.0 | 97.94
+Neigh   | 0.79977    | 0.79977    | 0.79977    |   0.0 |  1.65
+Comm    | 0.043133   | 0.043133   | 0.043133   |   0.0 |  0.09
+Output  | 0.0011899  | 0.0011899  | 0.0011899  |   0.0 |  0.00
+Modify  | 0.11648    | 0.11648    | 0.11648    |   0.0 |  0.24
+Other   |            | 0.03404    |            |       |  0.07
+
+Nlocal:    1912 ave 1912 max 1912 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Nghost:    1662 ave 1662 max 1662 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+Neighs:    23143 ave 23143 max 23143 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+FullNghs:  46286 ave 46286 max 46286 min
+Histogram: 1 0 0 0 0 0 0 0 0 0
+
+Total # of neighbors = 46286
+Ave neighs/atom = 24.2082
+Neighbor list builds = 220
+Dangerous builds = 0
+Total wall time: 0:00:49
diff -Naur lammps-23Jun17/examples/meam/log.19May17.meamc.shear.g++.4 lammps-6Jul17/examples/meam/log.19May17.meamc.shear.g++.4
--- lammps-23Jun17/examples/meam/log.19May17.meamc.shear.g++.4	1969-12-31 17:00:00.000000000 -0700
+++ lammps-6Jul17/examples/meam/log.19May17.meamc.shear.g++.4	2017-07-03 12:30:34.524715000 -0600
@@ -0,0 +1,207 @@
+LAMMPS (19 May 2017)
+  using 1 OpenMP thread(s) per MPI task
+# 3d metal shear simulation
+
+units		metal
+boundary	s s p
+
+atom_style	atomic
+lattice		fcc 3.52
+Lattice spacing in x,y,z = 3.52 3.52 3.52
+region		box block 0 16.0 0 10.0 0 2.828427
+create_box	3 box
+Created orthogonal box = (0 0 0) to (56.32 35.2 9.95606)
+  2 by 2 by 1 MPI processor grid
+
+lattice		fcc 3.52 orient	x 1 0 0 orient y 0 1 1 orient z 0 -1 1 		origin 0.5 0 0
+Lattice spacing in x,y,z = 3.52 4.97803 4.97803
+create_atoms	1 box
+Created 1912 atoms
+
+pair_style	meam/c
+pair_coeff	* * library.meam Ni4 Ni.meam Ni4 Ni4 Ni4
+Reading potential file library.meam with DATE: 2012-06-29
+Reading potential file Ni.meam with DATE: 2007-06-11
+
+neighbor	0.3 bin
+neigh_modify	delay 5
+
+region		lower block INF INF INF 0.9 INF INF
+region		upper block INF INF 6.1 INF INF INF
+group		lower region lower
+264 atoms in group lower
+group		upper region upper
+264 atoms in group upper
+group		boundary union lower upper
+528 atoms in group boundary
+group		mobile subtract all boundary
+1384 atoms in group mobile
+
+set		group lower type 2
+  264 settings made for type
+set		group upper type 3
+  264 settings made for type
+
+# void
+
+#region		void cylinder z 8 5 2.5 INF INF
+#delete_atoms	region void
+
+# temp controllers
+
+compute		new3d mobile temp
+compute		new2d mobile temp/partial 0 1 1
+
+# equilibrate
+
+velocity	mobile create 300.0 5812775 temp new3d
+fix		1 all nve
+fix		2 boundary setforce 0.0 0.0 0.0
+
+fix		3 mobile temp/rescale 10 300.0 300.0 10.0 1.0
+fix_modify	3 temp new3d
+
+thermo		25
+thermo_modify	temp new3d
+WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:489)
+
+timestep	0.001
+run		100
+Neighbor list info ...
+  update every 1 steps, delay 5 steps, check yes
+  max neighbors/atom: 2000, page size: 100000
+  master list distance cutoff = 4.3
+  ghost atom cutoff = 4.3
+  binsize = 2.15, bins = 27 17 5
+  2 neighbor lists, perpetual/occasional/extra = 2 0 0
+  (1) pair meam/c, perpetual
+      attributes: full, newton on
+      pair build: full/bin/atomonly
+      stencil: full/bin/3d
+      bin: standard
+  (2) pair meam/c, perpetual, half/full from (1)
+      attributes: half, newton on
+      pair build: halffull/newton
+      stencil: none
+      bin: none
+Per MPI rank memory allocation (min/avg/max) = 8.954 | 8.957 | 8.959 Mbytes
+Step Temp E_pair E_mol TotEng Press Volume 
+       0          300   -8232.7767            0   -8179.1466    1386.6643     19547.02 
+      25    221.59546   -8187.6813            0   -8148.0673    9100.4505     19547.02 
+      50          300   -8150.0685            0   -8096.4384    10317.406    19685.743 
+      75    307.76021   -8164.6669            0   -8109.6496    6289.7123    19757.814 
+     100          300   -8176.5141            0    -8122.884    4162.2548    19873.327 
+Loop time of 0.435874 on 4 procs for 100 steps with 1912 atoms
+
+Performance: 19.822 ns/day, 1.211 hours/ns, 229.424 timesteps/s
+98.8% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 0.4092     | 0.41563    | 0.42184    |   0.7 | 95.35
+Neigh   | 0.0048575  | 0.004932   | 0.0049984  |   0.1 |  1.13
+Comm    | 0.0069079  | 0.013151   | 0.019513   |   4.2 |  3.02
+Output  | 0.00012398 | 0.00013405 | 0.00015688 |   0.0 |  0.03
+Modify  | 0.0011275  | 0.0011509  | 0.0011735  |   0.1 |  0.26
+Other   |            | 0.0008795  |            |       |  0.20
+
+Nlocal:    478 ave 492 max 465 min
+Histogram: 2 0 0 0 0 0 0 0 1 1
+Nghost:    809 ave 822 max 795 min
+Histogram: 1 1 0 0 0 0 0 0 0 2
+Neighs:    5916 ave 6133 max 5658 min
+Histogram: 1 0 0 1 0 0 0 0 1 1
+FullNghs:  11832 ave 12277 max 11299 min
+Histogram: 1 0 0 1 0 0 0 0 1 1
+
+Total # of neighbors = 47328
+Ave neighs/atom = 24.7531
+Neighbor list builds = 5
+Dangerous builds = 0
+
+# shear
+
+velocity	upper set 1.0 0 0
+velocity	mobile ramp vx 0.0 1.0 y 1.4 8.6 sum yes
+
+unfix		3
+fix		3 mobile temp/rescale 10 300.0 300.0 10.0 1.0
+fix_modify	3 temp new2d
+
+#dump		1 all atom 500 dump.meam.shear
+
+#dump		2 all image 100 image.*.jpg type type #		axes yes 0.8 0.02 view 0 0 zoom 1.5 up 0 1 0 adiam 2.0
+#dump_modify	2 pad 4
+
+#dump		3 all movie 100 movie.mpg type type #		axes yes 0.8 0.02 view 0 0 zoom 1.5 up 0 1 0 adiam 2.0
+#dump_modify	3 pad 4
+
+thermo		100
+thermo_modify	temp new2d
+WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:489)
+
+reset_timestep	0
+run		3000
+Per MPI rank memory allocation (min/avg/max) = 8.999 | 9.002 | 9.005 Mbytes
+Step Temp E_pair E_mol TotEng Press Volume 
+       0    295.32113   -8176.5141            0   -8141.3183    3169.3102     19886.93 
+     100     292.0025   -8176.5358            0   -8141.7356   -825.04852    19918.765 
+     200    306.11682   -8176.7718            0   -8140.2895   -1370.6881    19948.878 
+     300          300   -8172.6262            0   -8136.8729   -1735.9794    20085.715 
+     400    306.88504   -8168.4351            0   -8131.8612   -933.05532    20117.008 
+     500    308.99111   -8166.2909            0    -8129.466   -1049.3442    20198.267 
+     600    304.22555   -8158.0946            0   -8121.8377    583.69142    20328.753 
+     700    296.41606   -8149.7777            0   -8114.4515    1986.7982    20421.032 
+     800    307.88628   -8139.1709            0   -8102.4776    4311.4142    20513.183 
+     900    303.37209   -8126.9382            0   -8090.7829    6712.7316    20640.213 
+    1000          300   -8113.7973            0    -8078.044    7630.2594    20750.143 
+    1100    300.07815   -8098.1383            0   -8062.3756    8423.7063    20879.616 
+    1200          300   -8083.3163            0    -8047.563    10772.917    21000.539 
+    1300          300   -8066.6741            0   -8030.9208    10834.336    21128.791 
+    1400          300   -8050.8799            0   -8015.1265    10842.382    21257.043 
+    1500          300   -8040.3206            0   -8004.5673    11852.589    21362.087 
+    1600          300   -8033.2471            0   -7997.4937    11298.745    21492.782 
+    1700          300   -8030.6375            0   -7994.8842     10850.43     21610.04 
+    1800          300   -8035.1631            0   -7999.4097    9985.6107    21734.628 
+    1900    308.56562   -8040.1954            0   -8003.4213    9865.7107    21859.215 
+    2000          300   -8030.1651            0   -7994.4117    11817.502    21980.138 
+    2100          300   -8031.6147            0   -7995.8613    12791.357    22101.061 
+    2200          300   -8033.7793            0   -7998.0259    13823.043    22234.198 
+    2300          300   -8040.5964            0   -8004.8431    16204.549    22350.236 
+    2400    309.42867   -8045.9414            0   -8009.0644    18506.386    22465.051 
+    2500          300   -8054.2629            0   -8018.5095    20099.612    22593.303 
+    2600          300   -8054.9562            0   -8019.2028    20036.318    22721.555 
+    2700          300   -8051.4788            0   -8015.7254    16993.437    22844.921 
+    2800          300   -8050.6908            0   -8014.9374    9048.5896    22964.622 
+    2900    309.90783   -8044.3096            0   -8007.3754    5017.0198    23080.659 
+    3000          300   -8035.8165            0   -8000.0632    2084.8999     23207.69 
+Loop time of 13.4901 on 4 procs for 3000 steps with 1912 atoms
+
+Performance: 19.214 ns/day, 1.249 hours/ns, 222.386 timesteps/s
+99.4% CPU use with 4 MPI tasks x 1 OpenMP threads
+
+MPI task timing breakdown:
+Section |  min time  |  avg time  |  max time  |%varavg| %total
+---------------------------------------------------------------
+Pair    | 12.851     | 12.919     | 12.945     |   1.1 | 95.76
+Neigh   | 0.20449    | 0.20777    | 0.21169    |   0.6 |  1.54
+Comm    | 0.27479    | 0.30264    | 0.36667    |   6.8 |  2.24
+Output  | 0.0010171  | 0.0010971  | 0.0012388  |   0.3 |  0.01
+Modify  | 0.033248   | 0.033878   | 0.034567   |   0.3 |  0.25
+Other   |            | 0.02594    |            |       |  0.19
+
+Nlocal:    478 ave 506 max 450 min
+Histogram: 2 0 0 0 0 0 0 0 0 2
+Nghost:    790.5 ave 822 max 751 min
+Histogram: 1 0 1 0 0 0 0 0 0 2
+Neighs:    5829.5 ave 6014 max 5672 min
+Histogram: 2 0 0 0 0 0 0 0 1 1
+FullNghs:  11659 ave 12027 max 11320 min
+Histogram: 2 0 0 0 0 0 0 0 1 1
+
+Total # of neighbors = 46636
+Ave neighs/atom = 24.3912
+Neighbor list builds = 220
+Dangerous builds = 0
+Total wall time: 0:00:13
diff -Naur lammps-23Jun17/examples/meam/log.5Oct16.meam.icc.1 lammps-6Jul17/examples/meam/log.5Oct16.meam.icc.1
--- lammps-23Jun17/examples/meam/log.5Oct16.meam.icc.1	2016-10-06 12:03:27.000000000 -0600
+++ lammps-6Jul17/examples/meam/log.5Oct16.meam.icc.1	1969-12-31 17:00:00.000000000 -0700
@@ -1,84 +0,0 @@
-LAMMPS (5 Oct 2016)
-# Test of MEAM potential for SiC system
-
-units		metal
-boundary	p p p
-
-atom_style	atomic
-
-read_data	data.meam
-  orthogonal box = (-6 -6 -6) to (5.97232 5.97232 5.97232)
-  1 by 1 by 1 MPI processor grid
-  reading atoms ...
-  128 atoms
-
-pair_style	meam
-pair_coeff	* * library.meam Si C SiC.meam Si C
-Reading potential file library.meam with DATE: 2012-06-29
-Reading potential file SiC.meam with DATE: 2007-06-11
-
-neighbor	0.3 bin
-neigh_modify	delay 10
-
-fix		1 all nve
-thermo		10
-timestep	0.001
-
-#dump		1 all atom 50 dump.meam
-
-#dump		2 all image 10 image.*.jpg element element #		axes yes 0.8 0.02 view 60 -30
-#dump_modify	2 pad 3 element Si C
-
-#dump		3 all movie 10 movie.mpg element element #		axes yes 0.8 0.02 view 60 -30
-#dump_modify	3 pad 3 element Si C
-
-run		100
-Neighbor list info ...
-  2 neighbor list requests
-  update every 1 steps, delay 10 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 4.3
-  ghost atom cutoff = 4.3
-  binsize = 2.15 -> bins = 6 6 6
-Memory usage per processor = 7.39054 Mbytes
-Step Temp E_pair E_mol TotEng Press 
-       0            0   -636.38121            0   -636.38121   -76571.819 
-      10    1807.8862   -666.21959            0   -636.54126   -150571.49 
-      20    1932.4467    -668.2581            0   -636.53498   -120223.52 
-      30    1951.3652   -668.58139            0   -636.54771    -100508.4 
-      40    2172.5974   -672.22715            0    -636.5617   -110753.34 
-      50    2056.9149   -670.33108            0   -636.56468   -105418.07 
-      60    1947.9564   -668.52788            0   -636.55015   -111413.04 
-      70    1994.7712   -669.28849            0   -636.54225   -109645.76 
-      80    2126.0903   -671.43755            0   -636.53557   -97475.831 
-      90     2065.755    -670.4349            0   -636.52338   -95858.837 
-     100    2051.4553   -670.20799            0   -636.53122    -107068.9 
-Loop time of 0.094512 on 1 procs for 100 steps with 128 atoms
-
-Performance: 91.417 ns/day, 0.263 hours/ns, 1058.067 timesteps/s
-99.4% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.091268   | 0.091268   | 0.091268   |   0.0 | 96.57
-Neigh   | 0.0021861  | 0.0021861  | 0.0021861  |   0.0 |  2.31
-Comm    | 0.00059438 | 0.00059438 | 0.00059438 |   0.0 |  0.63
-Output  | 9.0837e-05 | 9.0837e-05 | 9.0837e-05 |   0.0 |  0.10
-Modify  | 0.00024438 | 0.00024438 | 0.00024438 |   0.0 |  0.26
-Other   |            | 0.000128   |            |       |  0.14
-
-Nlocal:    128 ave 128 max 128 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    543 ave 543 max 543 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    1526 ave 1526 max 1526 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  3052 ave 3052 max 3052 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 3052
-Ave neighs/atom = 23.8438
-Neighbor list builds = 10
-Dangerous builds = 10
-Total wall time: 0:00:00
diff -Naur lammps-23Jun17/examples/meam/log.5Oct16.meam.icc.4 lammps-6Jul17/examples/meam/log.5Oct16.meam.icc.4
--- lammps-23Jun17/examples/meam/log.5Oct16.meam.icc.4	2016-10-06 12:03:27.000000000 -0600
+++ lammps-6Jul17/examples/meam/log.5Oct16.meam.icc.4	1969-12-31 17:00:00.000000000 -0700
@@ -1,84 +0,0 @@
-LAMMPS (5 Oct 2016)
-# Test of MEAM potential for SiC system
-
-units		metal
-boundary	p p p
-
-atom_style	atomic
-
-read_data	data.meam
-  orthogonal box = (-6 -6 -6) to (5.97232 5.97232 5.97232)
-  1 by 2 by 2 MPI processor grid
-  reading atoms ...
-  128 atoms
-
-pair_style	meam
-pair_coeff	* * library.meam Si C SiC.meam Si C
-Reading potential file library.meam with DATE: 2012-06-29
-Reading potential file SiC.meam with DATE: 2007-06-11
-
-neighbor	0.3 bin
-neigh_modify	delay 10
-
-fix		1 all nve
-thermo		10
-timestep	0.001
-
-#dump		1 all atom 50 dump.meam
-
-#dump		2 all image 10 image.*.jpg element element #		axes yes 0.8 0.02 view 60 -30
-#dump_modify	2 pad 3 element Si C
-
-#dump		3 all movie 10 movie.mpg element element #		axes yes 0.8 0.02 view 60 -30
-#dump_modify	3 pad 3 element Si C
-
-run		100
-Neighbor list info ...
-  2 neighbor list requests
-  update every 1 steps, delay 10 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 4.3
-  ghost atom cutoff = 4.3
-  binsize = 2.15 -> bins = 6 6 6
-Memory usage per processor = 7.319 Mbytes
-Step Temp E_pair E_mol TotEng Press 
-       0            0   -636.38121            0   -636.38121   -76571.819 
-      10    1807.8862   -666.21959            0   -636.54126   -150571.49 
-      20    1932.4467    -668.2581            0   -636.53498   -120223.52 
-      30    1951.3652   -668.58139            0   -636.54771    -100508.4 
-      40    2172.5974   -672.22715            0    -636.5617   -110753.34 
-      50    2056.9149   -670.33108            0   -636.56468   -105418.07 
-      60    1947.9564   -668.52788            0   -636.55015   -111413.04 
-      70    1994.7712   -669.28849            0   -636.54225   -109645.76 
-      80    2126.0903   -671.43755            0   -636.53557   -97475.831 
-      90     2065.755    -670.4349            0   -636.52338   -95858.837 
-     100    2051.4553   -670.20799            0   -636.53122    -107068.9 
-Loop time of 0.0350628 on 4 procs for 100 steps with 128 atoms
-
-Performance: 246.415 ns/day, 0.097 hours/ns, 2852.026 timesteps/s
-98.4% CPU use with 4 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.030952   | 0.031776   | 0.032203   |   0.3 | 90.63
-Neigh   | 0.00058937 | 0.00061423 | 0.00063896 |   0.1 |  1.75
-Comm    | 0.0018125  | 0.0022421  | 0.0030777  |   1.1 |  6.39
-Output  | 0.00018525 | 0.00019765 | 0.00021911 |   0.1 |  0.56
-Modify  | 8.0585e-05 | 9.0539e-05 | 9.7752e-05 |   0.1 |  0.26
-Other   |            | 0.0001422  |            |       |  0.41
-
-Nlocal:    32 ave 36 max 30 min
-Histogram: 1 2 0 0 0 0 0 0 0 1
-Nghost:    293.75 ave 305 max 285 min
-Histogram: 2 0 0 0 0 0 0 1 0 1
-Neighs:    381.5 ave 413 max 334 min
-Histogram: 1 0 0 0 1 0 0 0 0 2
-FullNghs:  763 ave 866 max 678 min
-Histogram: 1 0 1 0 0 1 0 0 0 1
-
-Total # of neighbors = 3052
-Ave neighs/atom = 23.8438
-Neighbor list builds = 10
-Dangerous builds = 10
-Total wall time: 0:00:00
diff -Naur lammps-23Jun17/examples/meam/log.5Oct16.meam.shear.icc.1 lammps-6Jul17/examples/meam/log.5Oct16.meam.shear.icc.1
--- lammps-23Jun17/examples/meam/log.5Oct16.meam.shear.icc.1	2016-10-06 12:03:27.000000000 -0600
+++ lammps-6Jul17/examples/meam/log.5Oct16.meam.shear.icc.1	1969-12-31 17:00:00.000000000 -0700
@@ -1,196 +0,0 @@
-LAMMPS (5 Oct 2016)
-# 3d metal shear simulation
-
-units		metal
-boundary	s s p
-
-atom_style	atomic
-lattice		fcc 3.52
-Lattice spacing in x,y,z = 3.52 3.52 3.52
-region		box block 0 16.0 0 10.0 0 2.828427
-create_box	3 box
-Created orthogonal box = (0 0 0) to (56.32 35.2 9.95606)
-  1 by 1 by 1 MPI processor grid
-
-lattice		fcc 3.52 orient	x 1 0 0 orient y 0 1 1 orient z 0 -1 1 		origin 0.5 0 0
-Lattice spacing in x,y,z = 3.52 4.97803 4.97803
-create_atoms	1 box
-Created 1912 atoms
-
-pair_style	meam
-pair_coeff	* * library.meam Ni4 Ni.meam Ni4 Ni4 Ni4
-Reading potential file library.meam with DATE: 2012-06-29
-Reading potential file Ni.meam with DATE: 2007-06-11
-
-neighbor	0.3 bin
-neigh_modify	delay 5
-
-region		lower block INF INF INF 0.9 INF INF
-region		upper block INF INF 6.1 INF INF INF
-group		lower region lower
-264 atoms in group lower
-group		upper region upper
-264 atoms in group upper
-group		boundary union lower upper
-528 atoms in group boundary
-group		mobile subtract all boundary
-1384 atoms in group mobile
-
-set		group lower type 2
-  264 settings made for type
-set		group upper type 3
-  264 settings made for type
-
-# void
-
-#region		void cylinder z 8 5 2.5 INF INF
-#delete_atoms	region void
-
-# temp controllers
-
-compute		new3d mobile temp
-compute		new2d mobile temp/partial 0 1 1
-
-# equilibrate
-
-velocity	mobile create 300.0 5812775 temp new3d
-fix		1 all nve
-fix		2 boundary setforce 0.0 0.0 0.0
-
-fix		3 mobile temp/rescale 10 300.0 300.0 10.0 1.0
-fix_modify	3 temp new3d
-
-thermo		25
-thermo_modify	temp new3d
-WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:474)
-
-timestep	0.001
-run		100
-Neighbor list info ...
-  2 neighbor list requests
-  update every 1 steps, delay 5 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 4.3
-  ghost atom cutoff = 4.3
-  binsize = 2.15 -> bins = 27 17 5
-Memory usage per processor = 8.55725 Mbytes
-Step Temp E_pair E_mol TotEng Press Volume 
-       0          300   -8232.7767            0   -8179.1466    1386.6643     19547.02 
-      25    222.78953   -8188.1215            0   -8148.2941    9095.9008     19547.02 
-      50          300   -8149.7654            0   -8096.1353    10633.141    19684.382 
-      75    304.80657   -8163.4557            0   -8108.9665     7045.457    19759.745 
-     100          300   -8173.6884            0   -8120.0584     5952.521    19886.589 
-Loop time of 1.72323 on 1 procs for 100 steps with 1912 atoms
-
-Performance: 5.014 ns/day, 4.787 hours/ns, 58.031 timesteps/s
-99.8% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 1.7026     | 1.7026     | 1.7026     |   0.0 | 98.80
-Neigh   | 0.014496   | 0.014496   | 0.014496   |   0.0 |  0.84
-Comm    | 0.0015783  | 0.0015783  | 0.0015783  |   0.0 |  0.09
-Output  | 6.0081e-05 | 6.0081e-05 | 6.0081e-05 |   0.0 |  0.00
-Modify  | 0.0034628  | 0.0034628  | 0.0034628  |   0.0 |  0.20
-Other   |            | 0.00101    |            |       |  0.06
-
-Nlocal:    1912 ave 1912 max 1912 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    1672 ave 1672 max 1672 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    23806 ave 23806 max 23806 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  47612 ave 47612 max 47612 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 47612
-Ave neighs/atom = 24.9017
-Neighbor list builds = 5
-Dangerous builds = 0
-
-# shear
-
-velocity	upper set 1.0 0 0
-velocity	mobile ramp vx 0.0 1.0 y 1.4 8.6 sum yes
-
-unfix		3
-fix		3 mobile temp/rescale 10 300.0 300.0 10.0 1.0
-fix_modify	3 temp new2d
-
-#dump		1 all atom 500 dump.meam.shear
-
-#dump		2 all image 100 image.*.jpg type type #		axes yes 0.8 0.02 view 0 0 zoom 1.5 up 0 1 0 adiam 2.0
-#dump_modify	2 pad 4
-
-#dump		3 all movie 100 movie.mpg type type #		axes yes 0.8 0.02 view 0 0 zoom 1.5 up 0 1 0 adiam 2.0
-#dump_modify	3 pad 4
-
-thermo		100
-thermo_modify	temp new2d
-WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:474)
-
-reset_timestep	0
-run		3000
-Memory usage per processor = 8.73384 Mbytes
-Step Temp E_pair E_mol TotEng Press Volume 
-       0    300.39988   -8173.6884            0   -8137.8874    4992.9811    19894.297 
-     100    292.06374   -8177.7096            0   -8142.9021    2568.3762     19871.53 
-     200    306.69894   -8177.1357            0    -8140.584    874.24259     20047.24 
-     300    295.68229   -8172.9213            0   -8137.6825   -1049.0836    20091.759 
-     400    308.99958   -8169.6355            0   -8132.8096   -1785.9335    20121.698 
-     500    303.85723    -8163.984            0   -8127.7709   -150.56268    20183.813 
-     600          300   -8157.7632            0   -8122.0099    1492.5742    20279.887 
-     700          300   -8148.1328            0   -8112.3794    3506.9234    20435.302 
-     800          300   -8139.1821            0   -8103.4288    3628.3957    20509.519 
-     900    305.03425   -8126.7734            0   -8090.4201    5316.2206    20638.992 
-    1000    304.00321   -8112.1616            0   -8075.9311    7441.9639    20767.243 
-    1100    304.14051   -8096.5041            0   -8060.2573     9646.698    20888.167 
-    1200    302.78461   -8080.5931            0   -8044.5079     11516.21    20995.917 
-    1300    308.67046   -8061.6724            0   -8024.8857    11496.487    21130.013 
-    1400    309.83019   -8046.2701            0   -8009.3452    12926.847    21247.271 
-    1500          300   -8035.0322            0   -7999.2789    15346.188    21370.637 
-    1600          300   -8030.6678            0   -7994.9144    14802.342    21496.446 
-    1700          300   -8024.5988            0   -7988.8454    13177.445    21611.262 
-    1800          300    -8023.045            0   -7987.2916    10240.041    21740.735 
-    1900          300   -8028.2797            0   -7992.5263    6912.1441    21866.544 
-    2000          300   -8036.4487            0   -8000.6953    3561.8365    21977.695 
-    2100          300   -8037.8249            0   -8002.0715    2879.2618    22109.611 
-    2200          300   -8033.6682            0   -7997.9148    4936.3695    22224.427 
-    2300    304.49349   -8033.4561            0   -7997.1673    5593.0915    22356.343 
-    2400          300   -8033.2969            0   -7997.5436    7537.0891    22473.601 
-    2500          300   -8033.1874            0   -7997.4341    11476.447    22598.189 
-    2600    307.77395   -8026.9234            0   -7990.2436     15758.81    22720.333 
-    2700          300   -8021.1736            0   -7985.4203    17948.896    22832.706 
-    2800          300   -8017.0863            0   -7981.3329    17154.618    22957.293 
-    2900          300   -8012.0514            0    -7976.298    13224.292    23089.209 
-    3000    304.58031   -8008.1654            0   -7971.8661    8572.9227    23211.354 
-Loop time of 55.136 on 1 procs for 3000 steps with 1912 atoms
-
-Performance: 4.701 ns/day, 5.105 hours/ns, 54.411 timesteps/s
-99.9% CPU use with 1 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 54.317     | 54.317     | 54.317     |  -nan | 98.51
-Neigh   | 0.63189    | 0.63189    | 0.63189    |   0.0 |  1.15
-Comm    | 0.051245   | 0.051245   | 0.051245   |   0.0 |  0.09
-Output  | 0.0005548  | 0.0005548  | 0.0005548  |   0.0 |  0.00
-Modify  | 0.10452    | 0.10452    | 0.10452    |   0.0 |  0.19
-Other   |            | 0.03128    |            |       |  0.06
-
-Nlocal:    1912 ave 1912 max 1912 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    1667 ave 1667 max 1667 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    23365 ave 23365 max 23365 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-FullNghs:  46730 ave 46730 max 46730 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 46730
-Ave neighs/atom = 24.4404
-Neighbor list builds = 221
-Dangerous builds = 0
-Total wall time: 0:00:56
diff -Naur lammps-23Jun17/examples/meam/log.5Oct16.meam.shear.icc.4 lammps-6Jul17/examples/meam/log.5Oct16.meam.shear.icc.4
--- lammps-23Jun17/examples/meam/log.5Oct16.meam.shear.icc.4	2016-10-06 12:03:27.000000000 -0600
+++ lammps-6Jul17/examples/meam/log.5Oct16.meam.shear.icc.4	1969-12-31 17:00:00.000000000 -0700
@@ -1,196 +0,0 @@
-LAMMPS (5 Oct 2016)
-# 3d metal shear simulation
-
-units		metal
-boundary	s s p
-
-atom_style	atomic
-lattice		fcc 3.52
-Lattice spacing in x,y,z = 3.52 3.52 3.52
-region		box block 0 16.0 0 10.0 0 2.828427
-create_box	3 box
-Created orthogonal box = (0 0 0) to (56.32 35.2 9.95606)
-  2 by 2 by 1 MPI processor grid
-
-lattice		fcc 3.52 orient	x 1 0 0 orient y 0 1 1 orient z 0 -1 1 		origin 0.5 0 0
-Lattice spacing in x,y,z = 3.52 4.97803 4.97803
-create_atoms	1 box
-Created 1912 atoms
-
-pair_style	meam
-pair_coeff	* * library.meam Ni4 Ni.meam Ni4 Ni4 Ni4
-Reading potential file library.meam with DATE: 2012-06-29
-Reading potential file Ni.meam with DATE: 2007-06-11
-
-neighbor	0.3 bin
-neigh_modify	delay 5
-
-region		lower block INF INF INF 0.9 INF INF
-region		upper block INF INF 6.1 INF INF INF
-group		lower region lower
-264 atoms in group lower
-group		upper region upper
-264 atoms in group upper
-group		boundary union lower upper
-528 atoms in group boundary
-group		mobile subtract all boundary
-1384 atoms in group mobile
-
-set		group lower type 2
-  264 settings made for type
-set		group upper type 3
-  264 settings made for type
-
-# void
-
-#region		void cylinder z 8 5 2.5 INF INF
-#delete_atoms	region void
-
-# temp controllers
-
-compute		new3d mobile temp
-compute		new2d mobile temp/partial 0 1 1
-
-# equilibrate
-
-velocity	mobile create 300.0 5812775 temp new3d
-fix		1 all nve
-fix		2 boundary setforce 0.0 0.0 0.0
-
-fix		3 mobile temp/rescale 10 300.0 300.0 10.0 1.0
-fix_modify	3 temp new3d
-
-thermo		25
-thermo_modify	temp new3d
-WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:474)
-
-timestep	0.001
-run		100
-Neighbor list info ...
-  2 neighbor list requests
-  update every 1 steps, delay 5 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 4.3
-  ghost atom cutoff = 4.3
-  binsize = 2.15 -> bins = 27 17 5
-Memory usage per processor = 7.74146 Mbytes
-Step Temp E_pair E_mol TotEng Press Volume 
-       0          300   -8232.7767            0   -8179.1466    1386.6643     19547.02 
-      25    221.59546   -8187.6813            0   -8148.0673    9100.4509     19547.02 
-      50          300   -8150.0685            0   -8096.4384    10317.407    19685.743 
-      75    307.76021   -8164.6669            0   -8109.6496    6289.7138    19757.814 
-     100          300   -8176.5141            0    -8122.884    4162.2559    19873.327 
-Loop time of 0.469502 on 4 procs for 100 steps with 1912 atoms
-
-Performance: 18.402 ns/day, 1.304 hours/ns, 212.992 timesteps/s
-99.7% CPU use with 4 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 0.44052    | 0.45213    | 0.45813    |   1.0 | 96.30
-Neigh   | 0.0036478  | 0.0037832  | 0.003854   |   0.1 |  0.81
-Comm    | 0.0055377  | 0.011533   | 0.02316    |   6.5 |  2.46
-Output  | 9.0837e-05 | 9.8228e-05 | 0.00011325 |   0.1 |  0.02
-Modify  | 0.00098062 | 0.0010158  | 0.0010564  |   0.1 |  0.22
-Other   |            | 0.0009408  |            |       |  0.20
-
-Nlocal:    478 ave 492 max 465 min
-Histogram: 2 0 0 0 0 0 0 0 1 1
-Nghost:    809 ave 822 max 795 min
-Histogram: 1 1 0 0 0 0 0 0 0 2
-Neighs:    5916 ave 6133 max 5658 min
-Histogram: 1 0 0 1 0 0 0 0 1 1
-FullNghs:  11832 ave 12277 max 11299 min
-Histogram: 1 0 0 1 0 0 0 0 1 1
-
-Total # of neighbors = 47328
-Ave neighs/atom = 24.7531
-Neighbor list builds = 5
-Dangerous builds = 0
-
-# shear
-
-velocity	upper set 1.0 0 0
-velocity	mobile ramp vx 0.0 1.0 y 1.4 8.6 sum yes
-
-unfix		3
-fix		3 mobile temp/rescale 10 300.0 300.0 10.0 1.0
-fix_modify	3 temp new2d
-
-#dump		1 all atom 500 dump.meam.shear
-
-#dump		2 all image 100 image.*.jpg type type #		axes yes 0.8 0.02 view 0 0 zoom 1.5 up 0 1 0 adiam 2.0
-#dump_modify	2 pad 4
-
-#dump		3 all movie 100 movie.mpg type type #		axes yes 0.8 0.02 view 0 0 zoom 1.5 up 0 1 0 adiam 2.0
-#dump_modify	3 pad 4
-
-thermo		100
-thermo_modify	temp new2d
-WARNING: Temperature for thermo pressure is not for group all (../thermo.cpp:474)
-
-reset_timestep	0
-run		3000
-Memory usage per processor = 7.78572 Mbytes
-Step Temp E_pair E_mol TotEng Press Volume 
-       0    295.32113   -8176.5141            0   -8141.3183    3169.3113     19886.93 
-     100    292.00251   -8176.5358            0   -8141.7356   -825.04802    19918.765 
-     200    306.11682   -8176.7719            0   -8140.2895   -1370.6886    19948.877 
-     300          300   -8172.6262            0   -8136.8729   -1735.9765    20085.714 
-     400    306.88489    -8168.435            0   -8131.8611   -933.02058    20117.012 
-     500    308.99003   -8166.2906            0   -8129.4658   -1049.3138    20198.256 
-     600    304.23435   -8158.0946            0   -8121.8366    583.93595    20328.848 
-     700    296.44479   -8149.7914            0   -8114.4618    1985.4155    20421.046 
-     800    307.75738   -8139.1649            0    -8102.487     4319.078    20513.183 
-     900    304.61422   -8126.9246            0   -8090.6214    6654.0963    20640.213 
-    1000          300   -8113.8464            0   -8078.0931    7760.1242    20768.465 
-    1100    300.17874   -8097.7469            0   -8061.9722    8438.1263    20874.731 
-    1200    306.01444   -8083.3367            0   -8046.8665    10835.585    20994.432 
-    1300          300    -8067.022            0   -8031.2686    11216.067    21126.348 
-    1400          300    -8053.223            0   -8017.4697     10570.21    21253.378 
-    1500          300   -8043.4848            0   -8007.7314    11360.829    21375.523 
-    1600          300   -8034.6216            0   -7998.8683    11371.642    21498.889 
-    1700          300   -8028.6774            0    -7992.924    9595.8772    21613.705 
-    1800          300   -8033.0808            0   -7997.3274    8767.6261    21743.178 
-    1900    303.30302   -8035.1958            0   -7999.0488    8059.5152    21859.215 
-    2000          300   -8025.0857            0   -7989.3323    9308.9938    21980.138 
-    2100          300   -8041.5796            0   -8005.8263    6656.0066     22108.39 
-    2200          300   -8039.6315            0   -8003.8781    7532.9687     22226.87 
-    2300          300    -8053.203            0   -8017.4497    8466.9094    22356.343 
-    2400          300   -8050.9154            0    -8015.162    11784.136    22467.494 
-    2500          300   -8037.6394            0    -8001.886    16464.786    22588.417 
-    2600          300   -8030.9221            0   -7995.1688    16807.326    22719.112 
-    2700          300   -8025.2102            0   -7989.4569     13729.61    22837.592 
-    2800          300   -8014.5312            0   -7978.7779    6784.6283    22953.629 
-    2900          300   -8007.4768            0   -7971.7234    1362.3131    23084.324 
-    3000          300   -7994.5614            0    -7958.808   -1726.5273    23194.254 
-Loop time of 14.8108 on 4 procs for 3000 steps with 1912 atoms
-
-Performance: 17.501 ns/day, 1.371 hours/ns, 202.555 timesteps/s
-99.8% CPU use with 4 MPI tasks x no OpenMP threads
-
-MPI task timing breakdown:
-Section |  min time  |  avg time  |  max time  |%varavg| %total
----------------------------------------------------------------
-Pair    | 14.05      | 14.237     | 14.332     |   2.9 | 96.12
-Neigh   | 0.1592     | 0.16414    | 0.1671     |   0.8 |  1.11
-Comm    | 0.26002    | 0.35589    | 0.54696    |  18.8 |  2.40
-Output  | 0.00061679 | 0.00065172 | 0.0007441  |   0.2 |  0.00
-Modify  | 0.02895    | 0.030174   | 0.03104    |   0.5 |  0.20
-Other   |            | 0.02338    |            |       |  0.16
-
-Nlocal:    478 ave 509 max 448 min
-Histogram: 2 0 0 0 0 0 0 0 0 2
-Nghost:    799.25 ave 844 max 756 min
-Histogram: 1 1 0 0 0 0 0 1 0 1
-Neighs:    5813.25 ave 6081 max 5602 min
-Histogram: 2 0 0 0 0 0 1 0 0 1
-FullNghs:  11626.5 ave 12151 max 11205 min
-Histogram: 1 1 0 0 0 0 1 0 0 1
-
-Total # of neighbors = 46506
-Ave neighs/atom = 24.3232
-Neighbor list builds = 225
-Dangerous builds = 0
-Total wall time: 0:00:15
diff -Naur lammps-23Jun17/src/KOKKOS/fix_qeq_reax_kokkos.cpp lammps-6Jul17/src/KOKKOS/fix_qeq_reax_kokkos.cpp
--- lammps-23Jun17/src/KOKKOS/fix_qeq_reax_kokkos.cpp	2017-06-15 09:50:15.000000000 -0600
+++ lammps-6Jul17/src/KOKKOS/fix_qeq_reax_kokkos.cpp	2017-06-30 11:28:55.169850000 -0600
@@ -218,8 +218,6 @@
   d_ilist = k_list->d_ilist;
   inum = list->inum;
 
-  k_list->clean_copy();
-  //cleanup_copy();
   copymode = 1;
 
   int teamsize = TEAMSIZE;
diff -Naur lammps-23Jun17/src/KOKKOS/neigh_list_kokkos.cpp lammps-6Jul17/src/KOKKOS/neigh_list_kokkos.cpp
--- lammps-23Jun17/src/KOKKOS/neigh_list_kokkos.cpp	2016-12-13 16:27:33.000000000 -0700
+++ lammps-6Jul17/src/KOKKOS/neigh_list_kokkos.cpp	2017-06-30 11:28:55.169850000 -0600
@@ -22,21 +22,14 @@
 /* ---------------------------------------------------------------------- */
 
 template<class Device>
-void NeighListKokkos<Device>::clean_copy()
+NeighListKokkos<Device>::NeighListKokkos(class LAMMPS *lmp):NeighList(lmp)
 {
-  ilist = NULL;
-  numneigh = NULL;
-  firstneigh = NULL;
-  firstdouble = NULL;
-  dnum = 0;
-  iskip = NULL;
-  ijskip = NULL;
-
-  ipage = NULL;
-  dpage = NULL;
-
+  _stride = 1;
+  maxneighs = 16;
+  kokkos = 1;
   maxatoms = 0;
-}
+  execution_space = ExecutionSpaceFromDevice<Device>::space;
+};
 
 /* ---------------------------------------------------------------------- */
 
diff -Naur lammps-23Jun17/src/KOKKOS/neigh_list_kokkos.h lammps-6Jul17/src/KOKKOS/neigh_list_kokkos.h
--- lammps-23Jun17/src/KOKKOS/neigh_list_kokkos.h	2016-12-13 16:27:33.000000000 -0700
+++ lammps-6Jul17/src/KOKKOS/neigh_list_kokkos.h	2017-06-30 11:28:55.169850000 -0600
@@ -68,18 +68,13 @@
 public:
   int maxneighs;
 
-  void clean_copy();
   void grow(int nmax);
   typename ArrayTypes<Device>::t_neighbors_2d d_neighbors;
   typename DAT::tdual_int_1d k_ilist;   // local indices of I atoms
   typename ArrayTypes<Device>::t_int_1d d_ilist;
   typename ArrayTypes<Device>::t_int_1d d_numneigh; // # of J neighs for each I
 
-  NeighListKokkos(class LAMMPS *lmp):
-  NeighList(lmp) {_stride = 1; maxneighs = 16; kokkos = 1; maxatoms = 0;
-                  execution_space = ExecutionSpaceFromDevice<Device>::space;
-  };
-  ~NeighListKokkos() {numneigh = NULL; ilist = NULL;};
+  NeighListKokkos(class LAMMPS *lmp);
 
   KOKKOS_INLINE_FUNCTION
   AtomNeighbors get_neighbors(const int &i) const {
diff -Naur lammps-23Jun17/src/KOKKOS/npair_kokkos.h lammps-6Jul17/src/KOKKOS/npair_kokkos.h
--- lammps-23Jun17/src/KOKKOS/npair_kokkos.h	2017-06-15 11:13:46.000000000 -0600
+++ lammps-6Jul17/src/KOKKOS/npair_kokkos.h	2017-06-30 11:28:55.169850000 -0600
@@ -265,7 +265,7 @@
     h_new_maxneighs() = neigh_list.maxneighs;
   };
 
-  ~NeighborKokkosExecute() {neigh_list.clean_copy();};
+  ~NeighborKokkosExecute() {neigh_list.copymode = 1;};
 
   template<int HalfNeigh, int Newton, int Tri>
   KOKKOS_FUNCTION
diff -Naur lammps-23Jun17/src/KOKKOS/pair_coul_dsf_kokkos.cpp lammps-6Jul17/src/KOKKOS/pair_coul_dsf_kokkos.cpp
--- lammps-23Jun17/src/KOKKOS/pair_coul_dsf_kokkos.cpp	2017-03-10 14:51:50.000000000 -0700
+++ lammps-6Jul17/src/KOKKOS/pair_coul_dsf_kokkos.cpp	2017-06-30 11:28:55.169850000 -0600
@@ -120,9 +120,6 @@
 
   int inum = list->inum;
 
-  // Call cleanup_copy which sets allocations NULL which are destructed by the PairStyle
-
-  k_list->clean_copy();
   copymode = 1;
 
   // loop over neighbors of my atoms
diff -Naur lammps-23Jun17/src/KOKKOS/pair_coul_wolf_kokkos.cpp lammps-6Jul17/src/KOKKOS/pair_coul_wolf_kokkos.cpp
--- lammps-23Jun17/src/KOKKOS/pair_coul_wolf_kokkos.cpp	2017-03-10 14:51:50.000000000 -0700
+++ lammps-6Jul17/src/KOKKOS/pair_coul_wolf_kokkos.cpp	2017-06-30 11:28:55.169850000 -0600
@@ -121,9 +121,6 @@
 
   int inum = list->inum;
 
-  // Call cleanup_copy which sets allocations NULL which are destructed by the PairStyle
-
-  k_list->clean_copy();
   copymode = 1;
 
   // loop over neighbors of my atoms
diff -Naur lammps-23Jun17/src/KOKKOS/pair_eam_alloy_kokkos.cpp lammps-6Jul17/src/KOKKOS/pair_eam_alloy_kokkos.cpp
--- lammps-23Jun17/src/KOKKOS/pair_eam_alloy_kokkos.cpp	2017-06-15 09:50:15.000000000 -0600
+++ lammps-6Jul17/src/KOKKOS/pair_eam_alloy_kokkos.cpp	2017-06-30 11:28:55.169850000 -0600
@@ -122,9 +122,6 @@
   d_ilist = k_list->d_ilist;
   int inum = list->inum;
 
-  // Call cleanup_copy which sets allocations NULL which are destructed by the PairStyle
-
-  k_list->clean_copy();
   copymode = 1;
 
   // zero out density
diff -Naur lammps-23Jun17/src/KOKKOS/pair_eam_fs_kokkos.cpp lammps-6Jul17/src/KOKKOS/pair_eam_fs_kokkos.cpp
--- lammps-23Jun17/src/KOKKOS/pair_eam_fs_kokkos.cpp	2017-06-15 09:50:15.000000000 -0600
+++ lammps-6Jul17/src/KOKKOS/pair_eam_fs_kokkos.cpp	2017-06-30 11:28:55.169850000 -0600
@@ -122,9 +122,6 @@
   d_ilist = k_list->d_ilist;
   int inum = list->inum;
 
-  // Call cleanup_copy which sets allocations NULL which are destructed by the PairStyle
-
-  k_list->clean_copy();
   copymode = 1;
 
   // zero out density
diff -Naur lammps-23Jun17/src/KOKKOS/pair_eam_kokkos.cpp lammps-6Jul17/src/KOKKOS/pair_eam_kokkos.cpp
--- lammps-23Jun17/src/KOKKOS/pair_eam_kokkos.cpp	2017-06-15 09:50:15.000000000 -0600
+++ lammps-6Jul17/src/KOKKOS/pair_eam_kokkos.cpp	2017-06-30 11:28:55.169850000 -0600
@@ -117,9 +117,6 @@
   d_ilist = k_list->d_ilist;
   int inum = list->inum;
 
-  // Call cleanup_copy which sets allocations NULL which are destructed by the PairStyle
-
-  k_list->clean_copy();
   copymode = 1;
 
   // zero out density
@@ -868,4 +865,4 @@
 #ifdef KOKKOS_HAVE_CUDA
 template class PairEAMKokkos<LMPHostType>;
 #endif
-}
\ No newline at end of file
+}
diff -Naur lammps-23Jun17/src/KOKKOS/pair_kokkos.h lammps-6Jul17/src/KOKKOS/pair_kokkos.h
--- lammps-23Jun17/src/KOKKOS/pair_kokkos.h	2016-12-13 16:27:33.000000000 -0700
+++ lammps-6Jul17/src/KOKKOS/pair_kokkos.h	2017-06-30 11:28:55.169850000 -0600
@@ -87,7 +87,7 @@
   vatom(c.d_vatom),list(*list_ptr) {};
 
   // Call cleanup_copy which sets allocations NULL which are destructed by the PairStyle
-  ~PairComputeFunctor() {c.cleanup_copy();list.clean_copy();};
+  ~PairComputeFunctor() {c.cleanup_copy();list.copymode = 1;};
 
   KOKKOS_INLINE_FUNCTION int sbmask(const int& j) const {
     return j >> SBBITS & 3;
@@ -344,7 +344,7 @@
   PairComputeFunctor(PairStyle* c_ptr,
                           NeighListKokkos<device_type>* list_ptr):
   c(*c_ptr),list(*list_ptr) {};
-  ~PairComputeFunctor() {c.cleanup_copy();list.clean_copy();};
+  ~PairComputeFunctor() {c.cleanup_copy();list.copymode = 1;};
 
   KOKKOS_INLINE_FUNCTION int sbmask(const int& j) const {
     return j >> SBBITS & 3;
diff -Naur lammps-23Jun17/src/KOKKOS/pair_reaxc_kokkos.cpp lammps-6Jul17/src/KOKKOS/pair_reaxc_kokkos.cpp
--- lammps-23Jun17/src/KOKKOS/pair_reaxc_kokkos.cpp	2017-06-15 09:50:15.000000000 -0600
+++ lammps-6Jul17/src/KOKKOS/pair_reaxc_kokkos.cpp	2017-06-30 11:28:55.169850000 -0600
@@ -709,8 +709,6 @@
   d_neighbors = k_list->d_neighbors;
   d_ilist = k_list->d_ilist;
 
-  k_list->clean_copy();
-
   if (eflag_global) {
     for (int i = 0; i < 14; i++)
       pvector[i] = 0.0;
@@ -3985,7 +3983,6 @@
   const int inum = list->inum;
   NeighListKokkos<DeviceType>* k_list = static_cast<NeighListKokkos<DeviceType>*>(list);
   d_ilist = k_list->d_ilist;
-  k_list->clean_copy();
 
   numbonds = 0;
   PairReaxCKokkosFindBondFunctor<DeviceType> find_bond_functor(this);
diff -Naur lammps-23Jun17/src/KOKKOS/pair_sw_kokkos.cpp lammps-6Jul17/src/KOKKOS/pair_sw_kokkos.cpp
--- lammps-23Jun17/src/KOKKOS/pair_sw_kokkos.cpp	2017-03-10 14:51:50.000000000 -0700
+++ lammps-6Jul17/src/KOKKOS/pair_sw_kokkos.cpp	2017-06-30 11:28:55.169850000 -0600
@@ -115,7 +115,6 @@
   d_numneigh = k_list->d_numneigh;
   d_neighbors = k_list->d_neighbors;
 
-  k_list->clean_copy();
   copymode = 1;
 
   EV_FLOAT ev;
diff -Naur lammps-23Jun17/src/KOKKOS/pair_tersoff_kokkos.cpp lammps-6Jul17/src/KOKKOS/pair_tersoff_kokkos.cpp
--- lammps-23Jun17/src/KOKKOS/pair_tersoff_kokkos.cpp	2017-03-10 14:51:50.000000000 -0700
+++ lammps-6Jul17/src/KOKKOS/pair_tersoff_kokkos.cpp	2017-06-30 11:28:55.169850000 -0600
@@ -200,7 +200,6 @@
   d_neighbors = k_list->d_neighbors;
   d_ilist = k_list->d_ilist;
 
-  k_list->clean_copy();
   copymode = 1;
 
   EV_FLOAT ev;
diff -Naur lammps-23Jun17/src/KOKKOS/pair_tersoff_mod_kokkos.cpp lammps-6Jul17/src/KOKKOS/pair_tersoff_mod_kokkos.cpp
--- lammps-23Jun17/src/KOKKOS/pair_tersoff_mod_kokkos.cpp	2017-03-10 14:51:50.000000000 -0700
+++ lammps-6Jul17/src/KOKKOS/pair_tersoff_mod_kokkos.cpp	2017-06-30 11:28:55.169850000 -0600
@@ -200,7 +200,6 @@
   d_neighbors = k_list->d_neighbors;
   d_ilist = k_list->d_ilist;
 
-  k_list->clean_copy();
   copymode = 1;
 
   EV_FLOAT ev;
diff -Naur lammps-23Jun17/src/KOKKOS/pair_tersoff_zbl_kokkos.cpp lammps-6Jul17/src/KOKKOS/pair_tersoff_zbl_kokkos.cpp
--- lammps-23Jun17/src/KOKKOS/pair_tersoff_zbl_kokkos.cpp	2017-03-10 14:51:50.000000000 -0700
+++ lammps-6Jul17/src/KOKKOS/pair_tersoff_zbl_kokkos.cpp	2017-06-30 11:28:55.169850000 -0600
@@ -214,7 +214,6 @@
   d_neighbors = k_list->d_neighbors;
   d_ilist = k_list->d_ilist;
 
-  k_list->clean_copy();
   copymode = 1;
 
   EV_FLOAT ev;
diff -Naur lammps-23Jun17/src/KOKKOS/pair_vashishta_kokkos.cpp lammps-6Jul17/src/KOKKOS/pair_vashishta_kokkos.cpp
--- lammps-23Jun17/src/KOKKOS/pair_vashishta_kokkos.cpp	2017-03-10 14:51:50.000000000 -0700
+++ lammps-6Jul17/src/KOKKOS/pair_vashishta_kokkos.cpp	2017-06-30 11:28:55.169850000 -0600
@@ -114,7 +114,6 @@
   d_numneigh = k_list->d_numneigh;
   d_neighbors = k_list->d_neighbors;
 
-  k_list->clean_copy();
   copymode = 1;
 
   EV_FLOAT ev;
diff -Naur lammps-23Jun17/src/KSPACE/pppm.cpp lammps-6Jul17/src/KSPACE/pppm.cpp
--- lammps-23Jun17/src/KSPACE/pppm.cpp	2017-05-30 13:33:36.000000000 -0600
+++ lammps-6Jul17/src/KSPACE/pppm.cpp	2017-07-03 12:30:34.524715000 -0600
@@ -186,6 +186,10 @@
   // error check
 
   triclinic_check();
+
+  if (triclinic != domain->triclinic)
+    error->all(FLERR,"Must redefine kspace_style after changing to triclinic box");
+
   if (domain->triclinic && differentiation_flag == 1)
     error->all(FLERR,"Cannot (yet) use PPPM with triclinic box "
                "and kspace_modify diff ad");
diff -Naur lammps-23Jun17/src/KSPACE/pppm_tip4p.cpp lammps-6Jul17/src/KSPACE/pppm_tip4p.cpp
--- lammps-23Jun17/src/KSPACE/pppm_tip4p.cpp	2017-01-09 09:17:20.000000000 -0700
+++ lammps-6Jul17/src/KSPACE/pppm_tip4p.cpp	2017-07-03 12:30:34.524715000 -0600
@@ -332,9 +332,9 @@
 
     const double qfactor = qqrd2e * scale;
 
-    s1 = x[i][0]*hx_inv;
-    s2 = x[i][1]*hy_inv;
-    s3 = x[i][2]*hz_inv;
+    s1 = xi[0]*hx_inv;
+    s2 = xi[1]*hy_inv;
+    s3 = xi[2]*hz_inv;
     sf = sf_coeff[0]*sin(2*MY_PI*s1);
     sf += sf_coeff[1]*sin(4*MY_PI*s1);
     sf *= 2.0*q[i]*q[i];
@@ -486,6 +486,8 @@
 
 void PPPMTIP4P::find_M(int i, int &iH1, int &iH2, double *xM)
 {
+  double **x = atom->x;
+
   iH1 = atom->map(atom->tag[i] + 1);
   iH2 = atom->map(atom->tag[i] + 2);
 
@@ -493,63 +495,98 @@
   if (atom->type[iH1] != typeH || atom->type[iH2] != typeH)
     error->one(FLERR,"TIP4P hydrogen has incorrect atom type");
 
-  // set iH1,iH2 to index of closest image to O
+  if (triclinic) {
 
-  iH1 = domain->closest_image(i,iH1);
-  iH2 = domain->closest_image(i,iH2);
+    // need to use custom code to find the closest image for triclinic,
+    // since local atoms are in lambda coordinates, but ghosts are not.
 
-  if (triclinic) {
-    find_M_triclinic(i,iH1,iH2,xM);
-    return;
-  }
+    int *sametag = atom->sametag;
+    double xo[3],xh1[3],xh2[3];
 
-  double **x = atom->x;
+    domain->lamda2x(x[i],xo);
+    domain->lamda2x(x[iH1],xh1);
+    domain->lamda2x(x[iH2],xh2);
+
+    double delx = xo[0] - xh1[0];
+    double dely = xo[1] - xh1[1];
+    double delz = xo[2] - xh1[2];
+    double rsqmin = delx*delx + dely*dely + delz*delz;
+    double rsq;
+    int closest = iH1;
+
+    while (sametag[iH1] >= 0) {
+      iH1 = sametag[iH1];
+      delx = xo[0] - x[iH1][0];
+      dely = xo[1] - x[iH1][1];
+      delz = xo[2] - x[iH1][2];
+      rsq = delx*delx + dely*dely + delz*delz;
+      if (rsq < rsqmin) {
+        rsqmin = rsq;
+        closest = iH1;
+        xh1[0] = x[iH1][0];
+        xh1[1] = x[iH1][1];
+        xh1[2] = x[iH1][2];
+      }
+    }
+    iH1 = closest;
 
-  double delx1 = x[iH1][0] - x[i][0];
-  double dely1 = x[iH1][1] - x[i][1];
-  double delz1 = x[iH1][2] - x[i][2];
-
-  double delx2 = x[iH2][0] - x[i][0];
-  double dely2 = x[iH2][1] - x[i][1];
-  double delz2 = x[iH2][2] - x[i][2];
-
-  xM[0] = x[i][0] + alpha * 0.5 * (delx1 + delx2);
-  xM[1] = x[i][1] + alpha * 0.5 * (dely1 + dely2);
-  xM[2] = x[i][2] + alpha * 0.5 * (delz1 + delz2);
-}
+    closest = iH2;
+    delx = xo[0] - xh2[0];
+    dely = xo[1] - xh2[1];
+    delz = xo[2] - xh2[2];
+    rsqmin = delx*delx + dely*dely + delz*delz;
+
+    while (sametag[iH2] >= 0) {
+      iH2 = sametag[iH2];
+      delx = xo[0] - x[iH2][0];
+      dely = xo[1] - x[iH2][1];
+      delz = xo[2] - x[iH2][2];
+      rsq = delx*delx + dely*dely + delz*delz;
+      if (rsq < rsqmin) {
+        rsqmin = rsq;
+        closest = iH2;
+        xh2[0] = x[iH2][0];
+        xh2[1] = x[iH2][1];
+        xh2[2] = x[iH2][2];
+      }
+    }
+    iH2 = closest;
 
-/* ----------------------------------------------------------------------
-   triclinic version of find_M()
-   calculation of M coords done in real space
-------------------------------------------------------------------------- */
+    // finally compute M in real coordinates ...
 
-void PPPMTIP4P::find_M_triclinic(int i, int iH1, int iH2, double *xM)
-{
-  double **x = atom->x;
+    double delx1 = xh1[0] - xo[0];
+    double dely1 = xh1[1] - xo[1];
+    double delz1 = xh1[2] - xo[2];
+
+    double delx2 = xh2[0] - xo[0];
+    double dely2 = xh2[1] - xo[1];
+    double delz2 = xh2[2] - xo[2];
+
+    xM[0] = xo[0] + alpha * 0.5 * (delx1 + delx2);
+    xM[1] = xo[1] + alpha * 0.5 * (dely1 + dely2);
+    xM[2] = xo[2] + alpha * 0.5 * (delz1 + delz2);
+
+    // ... and convert M to lamda space for PPPM
 
-  // convert from lamda to real space
-  // may be possible to do this more efficiently in lamda space
+    domain->x2lamda(xM,xM);
 
-  domain->lamda2x(x[i],x[i]);
-  domain->lamda2x(x[iH1],x[iH1]);
-  domain->lamda2x(x[iH2],x[iH2]);
-
-  double delx1 = x[iH1][0] - x[i][0];
-  double dely1 = x[iH1][1] - x[i][1];
-  double delz1 = x[iH1][2] - x[i][2];
-
-  double delx2 = x[iH2][0] - x[i][0];
-  double dely2 = x[iH2][1] - x[i][1];
-  double delz2 = x[iH2][2] - x[i][2];
-
-  xM[0] = x[i][0] + alpha * 0.5 * (delx1 + delx2);
-  xM[1] = x[i][1] + alpha * 0.5 * (dely1 + dely2);
-  xM[2] = x[i][2] + alpha * 0.5 * (delz1 + delz2);
-
-  // convert back to lamda space
-
-  domain->x2lamda(x[i],x[i]);
-  domain->x2lamda(x[iH1],x[iH1]);
-  domain->x2lamda(x[iH2],x[iH2]);
-  domain->x2lamda(xM,xM);
+  } else {
+
+    // set iH1,iH2 to index of closest image to O
+
+    iH1 = domain->closest_image(i,iH1);
+    iH2 = domain->closest_image(i,iH2);
+
+    double delx1 = x[iH1][0] - x[i][0];
+    double dely1 = x[iH1][1] - x[i][1];
+    double delz1 = x[iH1][2] - x[i][2];
+
+    double delx2 = x[iH2][0] - x[i][0];
+    double dely2 = x[iH2][1] - x[i][1];
+    double delz2 = x[iH2][2] - x[i][2];
+
+    xM[0] = x[i][0] + alpha * 0.5 * (delx1 + delx2);
+    xM[1] = x[i][1] + alpha * 0.5 * (dely1 + dely2);
+    xM[2] = x[i][2] + alpha * 0.5 * (delz1 + delz2);
+  }
 }
diff -Naur lammps-23Jun17/src/KSPACE/pppm_tip4p.h lammps-6Jul17/src/KSPACE/pppm_tip4p.h
--- lammps-23Jun17/src/KSPACE/pppm_tip4p.h	2017-01-09 09:17:20.000000000 -0700
+++ lammps-6Jul17/src/KSPACE/pppm_tip4p.h	2017-07-03 12:30:34.524715000 -0600
@@ -39,7 +39,6 @@
 
  private:
   void find_M(int, int &, int &, double *);
-  void find_M_triclinic(int, int, int, double *);
 };
 
 }
diff -Naur lammps-23Jun17/src/Makefile lammps-6Jul17/src/Makefile
--- lammps-23Jun17/src/Makefile	2017-05-08 08:32:56.000000000 -0600
+++ lammps-6Jul17/src/Makefile	2017-07-03 12:30:34.524715000 -0600
@@ -59,7 +59,7 @@
 
 PACKUSER = user-atc user-awpmd user-cgdna user-cgsdk user-colvars \
 	   user-diffraction user-dpd user-drude user-eff user-fep user-h5md \
-	   user-intel user-lb user-manifold user-mgpt user-misc user-molfile \
+	   user-intel user-lb user-manifold user-meamc user-mgpt user-misc user-molfile \
 	   user-netcdf user-omp user-phonon user-qmmm user-qtb \
 	   user-quip user-reaxc user-smd user-smtbq user-sph user-tally \
 	   user-vtk
diff -Naur lammps-23Jun17/src/SHOCK/fix_msst.cpp lammps-6Jul17/src/SHOCK/fix_msst.cpp
--- lammps-23Jun17/src/SHOCK/fix_msst.cpp	2016-11-09 15:37:03.000000000 -0700
+++ lammps-6Jul17/src/SHOCK/fix_msst.cpp	2017-07-06 09:00:27.580802000 -0600
@@ -13,8 +13,8 @@
 
 /* ----------------------------------------------------------------------
    Contributing authors: Laurence Fried (LLNL), Evan Reed (LLNL, Stanford)
-   implementation of the Multi-Scale Shock Method
-   See Reed, Fried, Joannopoulos, Phys Rev Lett, 90, 235503 (2003)
+     implementation of the Multi-Scale Shock Method
+   see Reed, Fried, Joannopoulos, Phys Rev Lett, 90, 235503 (2003)
 ------------------------------------------------------------------------- */
 
 #include <string.h>
@@ -26,13 +26,15 @@
 #include "comm.h"
 #include "output.h"
 #include "modify.h"
+#include "fix_external.h"
 #include "compute.h"
 #include "kspace.h"
 #include "update.h"
 #include "respa.h"
 #include "domain.h"
-#include "error.h"
 #include "thermo.h"
+#include "memory.h"
+#include "error.h"
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
@@ -40,9 +42,9 @@
 /* ---------------------------------------------------------------------- */
 
 FixMSST::FixMSST(LAMMPS *lmp, int narg, char **arg) :
-  Fix(lmp, narg, arg), old_velocity(NULL), rfix(NULL), 
-  id_temp(NULL), id_press(NULL), id_pe(NULL), temperature(NULL), 
-  pressure(NULL), pe(NULL), atoms_allocated(0)
+  Fix(lmp, narg, arg), old_velocity(NULL), rfix(NULL),
+  id_temp(NULL), id_press(NULL), id_pe(NULL), temperature(NULL),
+  pressure(NULL), pe(NULL)
 {
   if (narg < 4) error->all(FLERR,"Illegal fix msst command");
 
@@ -63,6 +65,11 @@
   p0 = 0.0;
   v0 = 1.0;
   e0 = 0.0;
+  TS_int = 0;
+  T0S0 = 0.0;
+  S_elec = 0.0;
+  S_elec_1 = 0.0;
+  S_elec_2 = 0.0;
 
   qmass = 1.0e1;
   mu = 0.0;
@@ -71,48 +78,67 @@
   v0_set = 0;
   e0_set = 0;
   tscale = 0.01;
+  dftb = 0;
+  beta = 0.0;
 
-  if ( strcmp(arg[3],"x") == 0 )
-    direction = 0;
-  else if ( strcmp(arg[3],"y") == 0 )
-    direction = 1;
-  else if ( strcmp(arg[3],"z") == 0 )
-    direction = 2;
-  else {
-    error->all(FLERR,"Illegal fix msst command");
-  }
+  if (strcmp(arg[3],"x") == 0) direction = 0;
+  else if (strcmp(arg[3],"y") == 0) direction = 1;
+  else if (strcmp(arg[3],"z") == 0) direction = 2;
+  else error->all(FLERR,"Illegal fix msst command");
 
   velocity = force->numeric(FLERR,arg[4]);
-  if ( velocity < 0 )
-    error->all(FLERR,"Illegal fix msst command");
+  if (velocity < 0) error->all(FLERR,"Illegal fix msst command");
 
-  for ( int iarg = 5; iarg < narg; iarg++ ) {
-    if ( strcmp(arg[iarg],"q") == 0 ) {
+  // optional args
+
+  int iarg = 5;
+  while (iarg < narg) {
+    if (strcmp(arg[iarg],"q") == 0) {
+      if (iarg+2 > narg) error->all(FLERR,"Illegal fix msst command");
       qmass = force->numeric(FLERR,arg[iarg+1]);
-      iarg++;
-    } else if ( strcmp(arg[iarg],"mu") == 0 ) {
+      iarg += 2;
+    } else if (strcmp(arg[iarg],"mu") == 0) {
+      if (iarg+2 > narg) error->all(FLERR,"Illegal fix msst command");
       mu = force->numeric(FLERR,arg[iarg+1]);
-      iarg++;
-    } else if ( strcmp(arg[iarg],"p0") == 0 ) {
+      iarg += 2;
+    } else if (strcmp(arg[iarg],"p0") == 0) {
+      if (iarg+2 > narg) error->all(FLERR,"Illegal fix msst command");
       p0 = force->numeric(FLERR,arg[iarg+1]);
-      iarg++;
       p0_set = 1;
-    } else if ( strcmp(arg[iarg],"v0") == 0 ) {
+      iarg += 2;
+    } else if (strcmp(arg[iarg],"v0") == 0) {
+      if (iarg+2 > narg) error->all(FLERR,"Illegal fix msst command");
       v0 = force->numeric(FLERR,arg[iarg+1]);
       v0_set = 1;
-      iarg++;
-    } else if ( strcmp(arg[iarg],"e0") == 0 ) {
+      iarg += 2;
+    } else if (strcmp(arg[iarg],"e0") == 0) {
+      if (iarg+2 > narg) error->all(FLERR,"Illegal fix msst command");
       e0 = force->numeric(FLERR,arg[iarg+1]);
       e0_set = 1;
-      iarg++;
-    } else if ( strcmp(arg[iarg],"tscale") == 0 ) {
+      iarg += 2;
+    } else if (strcmp(arg[iarg],"tscale") == 0) {
+      if (iarg+2 > narg) error->all(FLERR,"Illegal fix msst command");
       tscale = force->numeric(FLERR,arg[iarg+1]);
       if (tscale < 0.0 || tscale > 1.0)
         error->all(FLERR,"Fix msst tscale must satisfy 0 <= tscale < 1");
-      iarg++;
+      iarg += 2;
+    } else if (strcmp(arg[iarg],"dftb") == 0) {
+      if (iarg+2 > narg) error->all(FLERR,"Illegal fix msst command");
+      if (strcmp(arg[iarg+1],"yes") == 0) dftb = 1;
+      else if (strcmp(arg[iarg+1],"yes") == 0) dftb = 0;
+      else error->all(FLERR,"Illegal fix msst command");
+      iarg += 2;
+    } else if (strcmp(arg[iarg],"beta") == 0) {
+      if (iarg+2 > narg) error->all(FLERR,"Illegal fix msst command");
+      beta = force->numeric(FLERR,arg[iarg+1]);
+      if (beta < 0.0 || beta > 1.0)
+        error->all(FLERR,"Illegal fix msst command");
+      iarg += 2;
     } else error->all(FLERR,"Illegal fix msst command");
   }
 
+  // output MSST info
+
   if (comm->me == 0) {
     if (screen) {
       fprintf(screen,"MSST parameters:\n");
@@ -166,15 +192,15 @@
 
   if (domain->nonperiodic) error->all(FLERR,"Fix msst requires a periodic box");
 
-  // create a new compute temp style
-  // id = fix-ID + temp
+  // create a new temperature compute
+  // id = fix-ID + "MSST_temp"
   // compute group = all since pressure is always global (group all)
   //   and thus its KE/temperature contribution should use group all
 
-  int n = strlen(id) + 6;
+  int n = strlen(id) + 10;
   id_temp = new char[n];
   strcpy(id_temp,id);
-  strcat(id_temp,"_temp");
+  strcat(id_temp,"MSST_temp");
 
   char **newarg = new char*[3];
   newarg[0] = id_temp;
@@ -184,14 +210,14 @@
   delete [] newarg;
   tflag = 1;
 
-  // create a new compute pressure style
-  // id = fix-ID + press, compute group = all
+  // create a new pressure compute
+  // id = fix-ID + "MSST_press", compute group = all
   // pass id_temp as 4th arg to pressure constructor
 
-  n = strlen(id) + 7;
+  n = strlen(id) + 11;
   id_press = new char[n];
   strcpy(id_press,id);
-  strcat(id_press,"_press");
+  strcat(id_press,"MSST_press");
 
   newarg = new char*[4];
   newarg[0] = id_press;
@@ -202,33 +228,30 @@
   delete [] newarg;
   pflag = 1;
 
-  // create a new compute potential energy compute
+  // create a new potential energy compute
+  // id = fix-ID + "MSST_pe", compute group = all
 
-  n = strlen(id) + 4;
+  n = strlen(id) + 8;
   id_pe = new char[n];
   strcpy(id_pe,id);
-  strcat(id_pe,"_pe");
+  strcat(id_pe,"MSST_pe");
 
   newarg = new char*[3];
   newarg[0] = id_pe;
-  newarg[1] = (char*)"all";
-  newarg[2] = (char*)"pe";
+  newarg[1] = (char*) "all";
+  newarg[2] = (char*) "pe";
   modify->add_compute(3,newarg);
   delete [] newarg;
   peflag = 1;
 
-  // initialize the time derivative of the volume.
-  omega[0] = omega[1] = omega[2] = 0.0;
+  // initialize the time derivative of the volume
 
+  omega[0] = omega[1] = omega[2] = 0.0;
   nrigid = 0;
   rfix = NULL;
 
-  old_velocity = new double* [atom->nlocal];
-  for ( int j = 0; j < atom->nlocal; j++ ) {
-    old_velocity[j] = new double [3];
-  }
-  atoms_allocated = atom->nlocal;
-
+  maxold = -1;
+  old_velocity = NULL;
 }
 
 /* ---------------------------------------------------------------------- */
@@ -247,11 +270,7 @@
   delete [] id_press;
   delete [] id_pe;
 
-  for ( int j = 0; j < atoms_allocated; j++ ) {
-    delete [] old_velocity[j];
-  }
-  delete [] old_velocity;
-
+  memory->destroy(old_velocity);
 }
 
 /* ---------------------------------------------------------------------- */
@@ -323,6 +342,15 @@
           strcmp(modify->fix[i]->style,"poems") == 0) rfix[nrigid++] = i;
   }
 
+  // find fix external being used to drive LAMMPS from DFTB+
+
+  if (dftb) {
+    for (int i = 0; i < modify->nfix; i++)
+      if (strcmp(modify->fix[i]->style,"external") == 0)
+        fix_external = (FixExternal *) modify->fix[i];
+    if (fix_external == NULL)
+      error->all(FLERR,"Fix msst dftb cannot be used w/out fix external");
+  }
 }
 
 /* ----------------------------------------------------------------------
@@ -406,6 +434,7 @@
 
   // trigger virial computation on next timestep
 
+  pe->addstep(update->ntimestep+1);
   pressure->addstep(update->ntimestep+1);
 }
 
@@ -415,10 +444,10 @@
 
 void FixMSST::initial_integrate(int vflag)
 {
-  int sd;
-  double p_msst;                // MSST driving pressure.
-  int i, k;
-  double vol;
+  int i,k;
+  double p_msst;                       // MSST driving pressure
+  double vol,TS,TS_term,escale_term;
+
   int nlocal = atom->nlocal;
   int *mask = atom->mask;
   double **v = atom->v;
@@ -426,21 +455,51 @@
   double *mass = atom->mass;
   int *type = atom->type;
   double **x = atom->x;
+  int sd = direction;
 
-  // check to see if old_velocity is correctly allocated
+  // realloc old_velocity if necessary
 
-  check_alloc(nlocal);
+  if (nlocal > maxold) {
+    memory->destroy(old_velocity);
+    maxold = atom->nmax;
+    memory->create(old_velocity,maxold,3,"msst:old_velocity");
+  }
 
-  sd = direction;
+  // for DFTB, extract TS_dftb from fix external
+  // must convert energy to mv^2 units
+
+  if (dftb) {
+    double TS_dftb = fix_external->compute_vector(0);
+    TS = force->ftm2v*TS_dftb;
+    if (update->ntimestep == 1) T0S0 = TS;
+  } else {
+    TS = 0.0;
+    T0S0 = 0.0;
+  }
+
+  // compute new pressure and volume
 
-  // compute new pressure and volume.
   temperature->compute_vector();
   pressure->compute_vector();
   couple();
   vol = compute_vol();
 
+  // update S_elec terms and compute TS_dot via finite differences
+
+  S_elec_2 = S_elec_1;
+  S_elec_1 = S_elec;
+  double Temp = temperature->compute_scalar();
+  S_elec = TS/Temp;
+  TS_dot = Temp*(3.0*S_elec-4.0*S_elec_1+S_elec_2)/(2.0*update->dt);
+  TS_int += (update->dt*TS_dot);
+  //TS_int += (update->dt*TS_dot)/total_mass;
+
+  // compute etot + extra terms for conserved quantity
+
+  double e_scale = compute_etotal() + compute_scalar();
+
   // propagate the time derivative of
-  // the volume 1/2 step at fixed vol, r, rdot.
+  // the volume 1/2 step at fixed vol, r, rdot
 
   p_msst = nktv2p * mvv2e * velocity * velocity * total_mass *
     ( v0 - vol)/( v0 * v0);
@@ -448,13 +507,11 @@
     (qmass * nktv2p * mvv2e);
   double B = total_mass * mu / ( qmass * vol );
 
-  // prevent blow-up of the volume.
+  // prevent blow-up of the volume
 
-  if ( vol > v0 && A > 0.0 ) {
-    A = -A;
-  }
+  if (vol > v0 && A > 0.0) A = -A;
 
-  // use taylor expansion to avoid singularity at B == 0.
+  // use Taylor expansion to avoid singularity at B = 0
 
   if ( B * dthalf > 1.0e-06 ) {
     omega[sd] = ( omega[sd] + A * ( exp(B * dthalf) - 1.0 ) / B )
@@ -465,73 +522,124 @@
   }
 
   // propagate velocity sum 1/2 step by
-  // temporarily propagating the velocities.
+  // temporarily propagating the velocities
 
   velocity_sum = compute_vsum();
-  for (i = 0; i < nlocal; i++) {
-    if (mask[i] & groupbit) {
-      for ( k = 0; k < 3; k++ ) {
-        double C = f[i][k] * force->ftm2v / mass[type[i]];
-        double D = mu * omega[sd] * omega[sd] /
-          (velocity_sum * mass[type[i]] * vol );
-        old_velocity[i][k] = v[i][k];
-        if ( k == direction ) {
-          D = D - 2.0 * omega[sd] / vol;
+
+  if (dftb) {
+    for (i = 0; i < nlocal; i++) {
+      if (mask[i] & groupbit) {
+        for ( k = 0; k < 3; k++ ) {
+          double C = f[i][k] * force->ftm2v / mass[type[i]];
+          TS_term = TS_dot/(mass[type[i]]*velocity_sum);
+          escale_term = force->ftm2v*beta*(e0-e_scale) /
+            (mass[type[i]]*velocity_sum);
+          double D = mu * omega[sd] * omega[sd] /
+            (velocity_sum * mass[type[i]] * vol );
+          D += escale_term - TS_term;
+          old_velocity[i][k] = v[i][k];
+          if ( k == direction ) D -= 2.0 * omega[sd] / vol;
+          if ( fabs(dthalf * D) > 1.0e-06 ) {
+            double expd = exp(D * dthalf);
+            v[i][k] = expd * ( C + D * v[i][k] - C / expd ) / D;
+          } else {
+            v[i][k] = v[i][k] + ( C + D * v[i][k] ) * dthalf +
+              0.5 * (D * D * v[i][k] + C * D ) * dthalf * dthalf;
+          }
         }
-        if ( fabs(dthalf * D) > 1.0e-06 ) {
-          double expd = exp(D * dthalf);
-          v[i][k] = expd * ( C + D * v[i][k] - C / expd ) / D;
-        } else {
-          v[i][k] = v[i][k] + ( C + D * v[i][k] ) * dthalf +
-            0.5 * (D * D * v[i][k] + C * D ) * dthalf * dthalf;
+      }
+    }
+  } else {
+    for (i = 0; i < nlocal; i++) {
+      if (mask[i] & groupbit) {
+        for ( k = 0; k < 3; k++ ) {
+          double C = f[i][k] * force->ftm2v / mass[type[i]];
+          double D = mu * omega[sd] * omega[sd] /
+            (velocity_sum * mass[type[i]] * vol );
+          old_velocity[i][k] = v[i][k];
+          if ( k == direction ) {
+            D = D - 2.0 * omega[sd] / vol;
+          }
+          if ( fabs(dthalf * D) > 1.0e-06 ) {
+            double expd = exp(D * dthalf);
+            v[i][k] = expd * ( C + D * v[i][k] - C / expd ) / D;
+          } else {
+            v[i][k] = v[i][k] + ( C + D * v[i][k] ) * dthalf +
+              0.5 * (D * D * v[i][k] + C * D ) * dthalf * dthalf;
+          }
         }
       }
     }
   }
+
   velocity_sum = compute_vsum();
 
-  // reset the velocities.
+  // reset the velocities
 
   for (i = 0; i < nlocal; i++) {
     if (mask[i] & groupbit) {
-      for ( k = 0; k < 3; k++ ) {
-        v[i][k] = old_velocity[i][k];
-      }
+      v[i][0] = old_velocity[i][0];
+      v[i][1] = old_velocity[i][1];
+      v[i][2] = old_velocity[i][2];
     }
   }
 
-  // propagate velocities 1/2 step using the new velocity sum.
+  // propagate velocities 1/2 step using the new velocity sum
 
-  for (i = 0; i < nlocal; i++) {
-    if (mask[i] & groupbit) {
-      for ( k = 0; k < 3; k++ ) {
-        double C = f[i][k] * force->ftm2v / mass[type[i]];
-        double D = mu * omega[sd] * omega[sd] /
-          (velocity_sum * mass[type[i]] * vol );
-        if ( k == direction ) {
-          D = D - 2.0 * omega[sd] / vol;
+  if (dftb) {
+    for (i = 0; i < nlocal; i++) {
+      if (mask[i] & groupbit) {
+        for ( k = 0; k < 3; k++ ) {
+          double C = f[i][k] * force->ftm2v / mass[type[i]];
+          TS_term = TS_dot/(mass[type[i]]*velocity_sum);
+          escale_term = force->ftm2v*beta*(e0-e_scale) /
+            (mass[type[i]]*velocity_sum);
+          double D = mu * omega[sd] * omega[sd] /
+            (velocity_sum * mass[type[i]] * vol );
+          D += escale_term - TS_term;
+          if ( k == direction ) D -= 2.0 * omega[sd] / vol;
+          if ( fabs(dthalf * D) > 1.0e-06 ) {
+            double expd = exp(D * dthalf);
+            v[i][k] = expd * ( C + D * v[i][k] - C / expd ) / D;
+          } else {
+            v[i][k] = v[i][k] + ( C + D * v[i][k] ) * dthalf +
+              0.5 * (D * D * v[i][k] + C * D ) * dthalf * dthalf;
+          }
         }
-        if ( fabs(dthalf * D) > 1.0e-06 ) {
-          double expd = exp(D * dthalf);
-          v[i][k] = expd * ( C + D * v[i][k] - C / expd ) / D;
-        } else {
-          v[i][k] = v[i][k] + ( C + D * v[i][k] ) * dthalf +
-            0.5 * (D * D * v[i][k] + C * D ) * dthalf * dthalf;
+      }
+    }
+  } else {
+    for (i = 0; i < nlocal; i++) {
+      if (mask[i] & groupbit) {
+        for ( k = 0; k < 3; k++ ) {
+          double C = f[i][k] * force->ftm2v / mass[type[i]];
+          double D = mu * omega[sd] * omega[sd] /
+            (velocity_sum * mass[type[i]] * vol );
+          if ( k == direction ) {
+            D = D - 2.0 * omega[sd] / vol;
+          }
+          if ( fabs(dthalf * D) > 1.0e-06 ) {
+            double expd = exp(D * dthalf);
+            v[i][k] = expd * ( C + D * v[i][k] - C / expd ) / D;
+          } else {
+            v[i][k] = v[i][k] + ( C + D * v[i][k] ) * dthalf +
+              0.5 * (D * D * v[i][k] + C * D ) * dthalf * dthalf;
+          }
         }
       }
     }
   }
 
-  // propagate the volume 1/2 step.
+  // propagate the volume 1/2 step
 
   double vol1 = vol + omega[sd] * dthalf;
 
-  // rescale positions and change box size.
+  // rescale positions and change box size
 
   dilation[sd] = vol1/vol;
   remap(0);
 
-  // propagate particle positions 1 time step.
+  // propagate particle positions 1 time step
 
   for (i = 0; i < nlocal; i++) {
     if (mask[i] & groupbit) {
@@ -541,11 +649,11 @@
     }
   }
 
-  // propagate the volume 1/2 step.
+  // propagate the volume 1/2 step
 
   double vol2 = vol1 + omega[sd] * dthalf;
 
-  // rescale positions and change box size.
+  // rescale positions and change box size
 
   dilation[sd] = vol2/vol1;
   remap(0);
@@ -560,6 +668,8 @@
 void FixMSST::final_integrate()
 {
   int i;
+  double p_msst;                  // MSST driving pressure
+  double TS_term,escale_term;
 
   // v update only for atoms in MSST group
 
@@ -570,32 +680,60 @@
   int *mask = atom->mask;
   int nlocal = atom->nlocal;
   double vol = compute_vol();
-  double p_msst;
+
   int sd = direction;
 
-  // propagate particle velocities 1/2 step.
+  // compute etot + extra terms for conserved quantity
 
-  for (i = 0; i < nlocal; i++) {
-    if (mask[i] & groupbit) {
-      for ( int k = 0; k < 3; k++ ) {
-        double C = f[i][k] * force->ftm2v / mass[type[i]];
-        double D = mu * omega[sd] * omega[sd] /
-          (velocity_sum * mass[type[i]] * vol );
-        if ( k == direction ) {
-          D = D - 2.0 * omega[sd] / vol;
+  double e_scale = compute_etotal() + compute_scalar();
+
+  // propagate particle velocities 1/2 step
+
+  if (dftb) {
+    for (i = 0; i < nlocal; i++) {
+      if (mask[i] & groupbit) {
+        for ( int k = 0; k < 3; k++ ) {
+          double C = f[i][k] * force->ftm2v / mass[type[i]];
+          TS_term = TS_dot/(mass[type[i]]*velocity_sum);
+          escale_term = force->ftm2v*beta*(e0-e_scale) /
+            (mass[type[i]]*velocity_sum);
+          double D = mu * omega[sd] * omega[sd] /
+            (velocity_sum * mass[type[i]] * vol );
+          D += escale_term - TS_term;
+          if ( k == direction ) D -= 2.0 * omega[sd] / vol;
+          if ( fabs(dthalf * D) > 1.0e-06 ) {
+            double expd = exp(D * dthalf);
+            v[i][k] = expd * ( C + D * v[i][k] - C / expd ) / D;
+          } else {
+            v[i][k] = v[i][k] + ( C + D * v[i][k] ) * dthalf +
+              0.5 * (D * D * v[i][k] + C * D ) * dthalf * dthalf;
+          }
         }
-        if ( fabs(dthalf * D) > 1.0e-06 ) {
-          double expd = exp(D * dthalf);
-          v[i][k] = expd * ( C + D * v[i][k] - C / expd ) / D;
-        } else {
-          v[i][k] = v[i][k] + ( C + D * v[i][k] ) * dthalf +
-            0.5 * (D * D * v[i][k] + C * D ) * dthalf * dthalf;
+      }
+    }
+  } else {
+    for (i = 0; i < nlocal; i++) {
+      if (mask[i] & groupbit) {
+        for ( int k = 0; k < 3; k++ ) {
+          double C = f[i][k] * force->ftm2v / mass[type[i]];
+          double D = mu * omega[sd] * omega[sd] /
+            (velocity_sum * mass[type[i]] * vol );
+          if ( k == direction ) {
+            D = D - 2.0 * omega[sd] / vol;
+          }
+          if ( fabs(dthalf * D) > 1.0e-06 ) {
+            double expd = exp(D * dthalf);
+            v[i][k] = expd * ( C + D * v[i][k] - C / expd ) / D;
+          } else {
+            v[i][k] = v[i][k] + ( C + D * v[i][k] ) * dthalf +
+              0.5 * (D * D * v[i][k] + C * D ) * dthalf * dthalf;
+          }
         }
       }
     }
   }
 
-  // compute new pressure and volume.
+  // compute new pressure and volume
 
   temperature->compute_vector();
 
@@ -604,7 +742,7 @@
   velocity_sum = compute_vsum();
   vol = compute_vol();
 
-  // propagate the time derivative of the volume 1/2 step at fixed V, r, rdot.
+  // propagate the time derivative of the volume 1/2 step at fixed V, r, rdot
 
   p_msst = nktv2p * mvv2e * velocity * velocity * total_mass *
     ( v0 - vol )/( v0 * v0 );
@@ -612,11 +750,9 @@
     ( qmass * nktv2p * mvv2e );
   double B = total_mass * mu  / ( qmass * vol );
 
-  // prevent blow-up of the volume.
+  // prevent blow-up of the volume
 
-  if ( vol > v0 && A > 0.0 ) {
-    A = -A;
-  }
+  if ( vol > v0 && A > 0.0 ) A = -A;
 
   // use taylor expansion to avoid singularity at B == 0.
 
@@ -632,8 +768,9 @@
 
   lagrangian_position -= velocity*vol/v0*update->dt;
 
-  // trigger virial computation on next timestep
+  // trigger energy and virial computation on next timestep
 
+  pe->addstep(update->ntimestep+1);
   pressure->addstep(update->ntimestep+1);
 }
 
@@ -707,11 +844,12 @@
 void FixMSST::write_restart(FILE *fp)
 {
   int n = 0;
-  double list[4];
+  double list[5];
   list[n++] = omega[direction];
   list[n++] = e0;
   list[n++] = v0;
   list[n++] = p0;
+  list[n++] = TS_int;
   if (comm->me == 0) {
     int size = n * sizeof(double);
     fwrite(&size,sizeof(int),1,fp);
@@ -731,6 +869,8 @@
   e0 = list[n++];
   v0 = list[n++];
   p0 = list[n++];
+  TS_int = list[n++];
+  tscale = 0.0;           // set tscale to zero for restart
   p0_set = 1;
   v0_set = 1;
   e0_set = 1;
@@ -752,11 +892,13 @@
     strcpy(id_temp,arg[1]);
 
     int icompute = modify->find_compute(id_temp);
-    if (icompute < 0) error->all(FLERR,"Could not find fix_modify temperature ID");
+    if (icompute < 0)
+      error->all(FLERR,"Could not find fix_modify temperature ID");
     temperature = modify->compute[icompute];
 
     if (temperature->tempflag == 0)
-      error->all(FLERR,"Fix_modify temperature ID does not compute temperature");
+      error->all(FLERR,"Fix_modify temperature ID does not "
+                 "compute temperature");
     if (temperature->igroup != 0 && comm->me == 0)
       error->warning(FLERR,"Temperature for MSST is not for group all");
 
@@ -806,6 +948,10 @@
     (1.0 - volume/ v0) * mvv2e;
   energy -= p0 * ( v0 - volume ) / nktv2p;
 
+  // subtract off precomputed TS_int integral value
+
+  energy -= TS_int;
+
   return energy;
 }
 
@@ -920,25 +1066,7 @@
     return domain->xprd * domain->yprd;
 }
 
-/* ----------------------------------------------------------------------
-   Checks to see if the allocated size of old_velocity is >= n
-   The number of local atoms can change during a parallel run.
-------------------------------------------------------------------------- */
-
-void FixMSST::check_alloc(int n)
-{
-  if ( atoms_allocated < n ) {
-    for ( int j = 0; j < atoms_allocated; j++ ) {
-      delete [] old_velocity[j];
-    }
-    delete [] old_velocity;
-
-    old_velocity = new double* [n];
-    for ( int j = 0; j < n; j++ )
-      old_velocity[j] = new double [3];
-    atoms_allocated = n;
-  }
-}
+/* ---------------------------------------------------------------------- */
 
 double FixMSST::compute_vsum()
 {
@@ -959,3 +1087,14 @@
   MPI_Allreduce(&t,&vsum,1,MPI_DOUBLE,MPI_SUM,world);
   return vsum;
 }
+
+/* ----------------------------------------------------------------------
+   memory usage of local atom-based array
+------------------------------------------------------------------------- */
+
+double FixMSST::memory_usage()
+{
+  double bytes = 3*atom->nmax * sizeof(double);
+  return bytes;
+}
+
diff -Naur lammps-23Jun17/src/SHOCK/fix_msst.h lammps-6Jul17/src/SHOCK/fix_msst.h
--- lammps-23Jun17/src/SHOCK/fix_msst.h	2014-10-21 11:09:24.000000000 -0600
+++ lammps-6Jul17/src/SHOCK/fix_msst.h	2017-07-06 09:00:27.580802000 -0600
@@ -10,10 +10,6 @@
 
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
-/* Implementation of the Multi-Scale Shock Method.
-   See Reed, Fried, Joannopoulos, Phys. Rev. Lett., 90, 235503(2003).
-   Implementation by Laurence Fried, LLNL, 4/2007.
-*/
 
 #ifdef FIX_CLASS
 
@@ -42,55 +38,67 @@
   void write_restart(FILE *);
   void restart(char *);
   int modify_param(int, char **);
+  double memory_usage();
 
  private:
-  double dtv,dtf,dthalf;           // Full and half step sizes.
-  double boltz,nktv2p, mvv2e;      // Boltzmann factor and unit conversions.
-  double total_mass;               // Mass of the computational cell.
+  double dtv,dtf,dthalf;           // Full and half step sizes
+  double boltz,nktv2p, mvv2e;      // Boltzmann factor and unit conversions
+  double total_mass;               // Mass of the computational cell
 
-  double omega[3];                 // Time derivative of the volume.
+  double omega[3];                 // Time derivative of the volume
   double p_current[3],dilation[3];
-  double qmass;                    // Effective cell mass.
-  double mu;                       // Effective cell viscosity.
+  double qmass;                    // Effective cell mass
+  double mu;                       // Effective cell viscosity
   double tscale;                   // Converts thermal energy to compressive
                                    // strain ke at simulation start
+  int dftb;                        // flag for use with DFTB+
 
-  double velocity_sum;             // Sum of the velocities squared.
+  double velocity_sum;             // Sum of the velocities squared
+  double damping;                  // Damping function for TS force term at
+                                   //   small volume difference (v0 - vol)
+  double T0S0;                     // Initial TS term for DFTB+ simulations
+  double S_elec,S_elec_1,S_elec_2; // time history of electron entropy
+                                   //   for DFTB+ simulaitons
+  double TS_dot;                   // time derivative of TS term for
+                                   //   DFTB+ simulations
 
-  double **old_velocity;           // Saved velocities.
+  double **old_velocity;           // Saved velocities
 
   int kspace_flag;                 // 1 if KSpace invoked, 0 if not
   int nrigid;                      // number of rigid fixes
   int *rfix;                       // indices of rigid fixes
 
   char *id_temp,*id_press;         // Strings with identifiers of
-  char *id_pe;                     // created computes.
+  char *id_pe;                     // created computes
 
   class Compute *temperature;      // Computes created to evaluate
-  class Compute *pressure;         // thermodynamic quantities.
+  class Compute *pressure;         // thermodynamic quantities
   class Compute *pe;
   int tflag,pflag,vsflag,peflag;   // Flags to keep track of computes that
-                                   // were created.
+                                   // were created
 
-  // shock initial conditions.
+  // shock initial conditions
 
   double e0;                       // Initial energy
   double v0;                       // Initial volume
   double p0;                       // Initial pressure
-  double velocity;                 // Velocity of the shock.
+  double velocity;                 // Velocity of the shock
   double lagrangian_position;      // Lagrangian location of computational cell
   int direction;                   // Direction of shock
-  int p0_set;                      // Is pressure set.
-  int v0_set;                      // Is volume set.
-  int e0_set;                      // Is energy set.
+  int p0_set;                      // Is pressure set
+  int v0_set;                      // Is volume set
+  int e0_set;                      // Is energy set
+  double TS_int;                   // Needed for conserved quantity
+                                   //   with thermal electronic excitations
+  double beta;                     // Energy conservation scaling factor
 
-  int atoms_allocated;             // The number of allocated atoms in old_velocity.
+  int maxold;                      // allocated size of old_velocity
+  class FixExternal *fix_external; // ptr to fix external
 
   // functions
 
   void couple();
   void remap(int);
-  void check_alloc(int n);
   double compute_etotal();
   double compute_vol();
   double compute_hugoniot();
diff -Naur lammps-23Jun17/src/USER-INTEL/fix_intel.cpp lammps-6Jul17/src/USER-INTEL/fix_intel.cpp
--- lammps-23Jun17/src/USER-INTEL/fix_intel.cpp	2017-06-20 07:46:34.000000000 -0600
+++ lammps-6Jul17/src/USER-INTEL/fix_intel.cpp	2017-07-03 08:52:44.762348000 -0600
@@ -748,7 +748,8 @@
       if (eatom) {
         double * _noalias const lmp_eatom = force->pair->eatom + out_offset;
         #if defined(LMP_SIMD_COMPILER)
-        #pragma novector
+        #pragma vector aligned
+	#pragma ivdep
         #endif
         for (int i = ifrom; i < ito; i++) {
           f[i].x += f_in[ii].x;
@@ -762,7 +763,8 @@
         }
       } else {
         #if defined(LMP_SIMD_COMPILER)
-        #pragma novector
+        #pragma vector aligned
+	#pragma ivdep
         #endif
         for (int i = ifrom; i < ito; i++) {
           f[i].x += f_in[ii].x;
@@ -778,7 +780,8 @@
       if (eatom) {
         double * _noalias const lmp_eatom = force->pair->eatom + out_offset;
         #if defined(LMP_SIMD_COMPILER)
-        #pragma novector
+        #pragma vector aligned
+	#pragma ivdep
         #endif
         for (int i = ifrom; i < ito; i++) {
           f[i].x += f_in[i].x;
@@ -788,7 +791,8 @@
         }
       } else {
         #if defined(LMP_SIMD_COMPILER)
-        #pragma novector
+        #pragma vector aligned
+	#pragma ivdep
         #endif
         for (int i = ifrom; i < ito; i++) {
           f[i].x += f_in[i].x;
diff -Naur lammps-23Jun17/src/USER-INTEL/intel_buffers.h lammps-6Jul17/src/USER-INTEL/intel_buffers.h
--- lammps-23Jun17/src/USER-INTEL/intel_buffers.h	2017-06-20 07:46:34.000000000 -0600
+++ lammps-6Jul17/src/USER-INTEL/intel_buffers.h	2017-07-03 08:52:44.762348000 -0600
@@ -172,6 +172,10 @@
 
   inline void thr_pack(const int ifrom, const int ito, const int ago) {
     if (ago == 0) {
+      #if defined(LMP_SIMD_COMPILER)
+      #pragma vector aligned
+      #pragma ivdep
+      #endif
       for (int i = ifrom; i < ito; i++) {
         _x[i].x = lmp->atom->x[i][0];
         _x[i].y = lmp->atom->x[i][1];
@@ -179,9 +183,17 @@
         _x[i].w = lmp->atom->type[i];
       }
       if (lmp->atom->q != NULL)
+        #if defined(LMP_SIMD_COMPILER)
+        #pragma vector aligned
+        #pragma ivdep
+        #endif
         for (int i = ifrom; i < ito; i++)
           _q[i] = lmp->atom->q[i];
     } else {
+      #if defined(LMP_SIMD_COMPILER)
+      #pragma vector aligned
+      #pragma ivdep
+      #endif
       for (int i = ifrom; i < ito; i++) {
         _x[i].x = lmp->atom->x[i][0];
         _x[i].y = lmp->atom->x[i][1];
@@ -204,7 +216,10 @@
                            const int offset, const bool dotype = false) {
     double ** x = lmp->atom->x + offset;
     if (dotype == false) {
-      #pragma vector nontemporal
+      #if defined(LMP_SIMD_COMPILER)
+      #pragma vector aligned
+      #pragma ivdep
+      #endif
       for (int i = ifrom; i < ito; i++) {
         _x[i].x = x[i][0];
         _x[i].y = x[i][1];
@@ -212,7 +227,10 @@
       }
     } else {
       int *type = lmp->atom->type + offset;
-      #pragma vector nontemporal
+      #if defined(LMP_SIMD_COMPILER)
+      #pragma vector aligned
+      #pragma ivdep
+      #endif
       for (int i = ifrom; i < ito; i++) {
         _x[i].x = x[i][0];
         _x[i].y = x[i][1];
@@ -225,6 +243,10 @@
   inline void thr_pack_host(const int ifrom, const int ito,
                             const int offset) {
     double ** x = lmp->atom->x + offset;
+    #if defined(LMP_SIMD_COMPILER)
+    #pragma vector aligned
+    #pragma ivdep
+    #endif
     for (int i = ifrom; i < ito; i++) {
       _host_x[i].x = x[i][0];
       _host_x[i].y = x[i][1];
diff -Naur lammps-23Jun17/src/USER-INTEL/intel_preprocess.h lammps-6Jul17/src/USER-INTEL/intel_preprocess.h
--- lammps-23Jun17/src/USER-INTEL/intel_preprocess.h	2017-06-20 07:46:34.000000000 -0600
+++ lammps-6Jul17/src/USER-INTEL/intel_preprocess.h	2017-07-03 12:30:34.524715000 -0600
@@ -68,7 +68,7 @@
 #define INTEL_MAX_STENCIL 256
 // INTEL_MAX_STENCIL * sqrt(INTEL_MAX_STENCIL)
 #define INTEL_MAX_STENCIL_CHECK 4096
-#define INTEL_P3M_MAXORDER 7
+#define INTEL_P3M_MAXORDER 8
 #define INTEL_P3M_ALIGNED_MAXORDER 8
 // PRECOMPUTE VALUES IN TABLE (DOESN'T AFFECT ACCURACY)
 #define INTEL_P3M_TABLE 1
@@ -248,12 +248,6 @@
 
 #else
 
-#define IP_PRE_omp_range(ifrom, ito, tid, inum, nthreads)       \
-  {                                                             \
-    ifrom = 0;                                                  \
-    ito = inum;                                                 \
-  }
-
 #define IP_PRE_omp_range_id(ifrom, ito, tid, inum, nthreads)    \
   {                                                             \
     tid = 0;                                                    \
@@ -299,15 +293,6 @@
     ito = inum;                                                 \
   }
 
-#define IP_PRE_omp_range_id_vec(ifrom, ip, ito, tid, inum,      \
-                                nthreads, vecsize)              \
-  {                                                             \
-    tid = 0;                                                    \
-    ifrom = 0;                                                  \
-    ito = inum;                                                 \
-    ip = vecsize;                                               \
-  }
-
 #endif
 
 #define IP_PRE_fdotr_acc_force_l5(lf, lt, minlocal, nthreads, f_start,  \
diff -Naur lammps-23Jun17/src/USER-INTEL/pppm_disp_intel.cpp lammps-6Jul17/src/USER-INTEL/pppm_disp_intel.cpp
--- lammps-23Jun17/src/USER-INTEL/pppm_disp_intel.cpp	2017-06-20 07:46:34.000000000 -0600
+++ lammps-6Jul17/src/USER-INTEL/pppm_disp_intel.cpp	2017-07-03 08:52:44.762348000 -0600
@@ -885,21 +885,22 @@
       FFT_SCALAR z0 = fdelvolinv * q[i];
 
       #if defined(LMP_SIMD_COMPILER)
-      #pragma loop_count=7
+      #pragma loop_count min(2), max(INTEL_P3M_ALIGNED_MAXORDER), avg(7)
       #endif
       for (int n = 0; n < order; n++) {
         int mz = n*nix*niy + nzsum;
         FFT_SCALAR y0 = z0*rho[2][n];
         #if defined(LMP_SIMD_COMPILER)
-        #pragma loop_count=7
+        #pragma loop_count min(2), max(INTEL_P3M_ALIGNED_MAXORDER), avg(7)
         #endif
         for (int m = 0; m < order; m++) {
           int mzy = m*nix + mz;
           FFT_SCALAR x0 = y0*rho[1][m];
           #if defined(LMP_SIMD_COMPILER)
+          #pragma loop_count min(2), max(INTEL_P3M_ALIGNED_MAXORDER), avg(7)
           #pragma simd
           #endif
-          for (int l = 0; l < INTEL_P3M_ALIGNED_MAXORDER; l++) {
+          for (int l = 0; l < order; l++) {
             int mzyx = l + mzy;
             my_density[mzyx] += x0*rho[0][l];
           }
@@ -1034,21 +1035,22 @@
       FFT_SCALAR z0 = fdelvolinv * B[type];
 
       #if defined(LMP_SIMD_COMPILER)
-      #pragma loop_count=7
+      #pragma loop_count min(2), max(INTEL_P3M_ALIGNED_MAXORDER), avg(7)
       #endif
       for (int n = 0; n < order_6; n++) {
         int mz = n*nix*niy + nzsum;
         FFT_SCALAR y0 = z0*rho[2][n];
         #if defined(LMP_SIMD_COMPILER)
-        #pragma loop_count=7
+        #pragma loop_count min(2), max(INTEL_P3M_ALIGNED_MAXORDER), avg(7)
         #endif
         for (int m = 0; m < order_6; m++) {
           int mzy = m*nix + mz;
           FFT_SCALAR x0 = y0*rho[1][m];
           #if defined(LMP_SIMD_COMPILER)
+          #pragma loop_count min(2), max(INTEL_P3M_ALIGNED_MAXORDER), avg(7)
           #pragma simd
           #endif
-          for (int l = 0; l < INTEL_P3M_ALIGNED_MAXORDER; l++) {
+          for (int l = 0; l < order; l++) {
             int mzyx = l + mzy;
             my_density[mzyx] += x0*rho[0][l];
           }
@@ -1181,21 +1183,22 @@
       FFT_SCALAR z0 = fdelvolinv;
 
       #if defined(LMP_SIMD_COMPILER)
-      #pragma loop_count=7
+      #pragma loop_count min(2), max(INTEL_P3M_ALIGNED_MAXORDER), avg(7)
       #endif
       for (int n = 0; n < order_6; n++) {
         int mz = n + nzsum;
         FFT_SCALAR y0 = z0*rho[2][n];
         #if defined(LMP_SIMD_COMPILER)
-        #pragma loop_count=7
+        #pragma loop_count min(2), max(INTEL_P3M_ALIGNED_MAXORDER), avg(7)
         #endif
         for (int m = 0; m < order_6; m++) {
           int my = m + nysum;
           FFT_SCALAR x0 = y0*rho[1][m];
           #if defined(LMP_SIMD_COMPILER)
+          #pragma loop_count min(2), max(INTEL_P3M_ALIGNED_MAXORDER), avg(7)
           #pragma simd
           #endif
-          for (int l = 0; l < INTEL_P3M_ALIGNED_MAXORDER; l++) {
+          for (int l = 0; l < order; l++) {
             int mx = l + nxsum;
             FFT_SCALAR w = x0*rho[0][l];
             density_brick_a0[mz][my][mx] += w*B[7*type];
@@ -1314,21 +1317,22 @@
       FFT_SCALAR z0 = fdelvolinv;
 
       #if defined(LMP_SIMD_COMPILER)
-      #pragma loop_count=7
+      #pragma loop_count min(2), max(INTEL_P3M_ALIGNED_MAXORDER), avg(7)
       #endif
       for (int n = 0; n < order_6; n++) {
         int mz = n*nix*niy + nzsum;
         FFT_SCALAR y0 = z0*rho[2][n];
         #if defined(LMP_SIMD_COMPILER)
-        #pragma loop_count=7
+        #pragma loop_count min(2), max(INTEL_P3M_ALIGNED_MAXORDER), avg(7)
         #endif
         for (int m = 0; m < order_6; m++) {
           int mzy = m*nix + mz;
           FFT_SCALAR x0 = y0*rho[1][m];
           #if defined(LMP_SIMD_COMPILER)
+          #pragma loop_count min(2), max(INTEL_P3M_ALIGNED_MAXORDER), avg(7)
           #pragma simd
           #endif
-          for (int l = 0; l < INTEL_P3M_ALIGNED_MAXORDER; l++) {
+          for (int l = 0; l < order; l++) {
             int mzyx = l + mzy;
             FFT_SCALAR w0 = x0*rho[0][l];
             for(int k = 0; k < nsplit; k++)
@@ -1462,21 +1466,22 @@
       _alignvar(FFT_SCALAR ekz_arr[INTEL_P3M_ALIGNED_MAXORDER], 64) = {0};
 
       #if defined(LMP_SIMD_COMPILER)
-      #pragma loop_count=7
+      #pragma loop_count min(2), max(INTEL_P3M_ALIGNED_MAXORDER), avg(7)
       #endif
       for (int n = 0; n < order; n++) {
         int mz = n+nzsum;
         FFT_SCALAR z0 = rho2[n];
         #if defined(LMP_SIMD_COMPILER)
-        #pragma loop_count=7
+        #pragma loop_count min(2), max(INTEL_P3M_ALIGNED_MAXORDER), avg(7)
         #endif
         for (int m = 0; m < order; m++) {
           int my = m+nysum;
           FFT_SCALAR y0 = z0*rho1[m];
           #if defined(LMP_SIMD_COMPILER)
+          #pragma loop_count min(2), max(INTEL_P3M_ALIGNED_MAXORDER), avg(7)
           #pragma simd
           #endif
-          for (int l = 0; l < INTEL_P3M_ALIGNED_MAXORDER; l++) {
+          for (int l = 0; l < order; l++) {
             int mx = l+nxsum;
             FFT_SCALAR x0 = y0*rho0[l];
               ekx_arr[l] -= x0*vdx_brick[mz][my][mx];
@@ -1490,12 +1495,11 @@
       FFT_SCALAR ekx, eky, ekz;
       ekx = eky = ekz = ZEROF;
 
-
-        for (int l = 0; l < INTEL_P3M_ALIGNED_MAXORDER; l++) {
-          ekx += ekx_arr[l];
-          eky += eky_arr[l];
-          ekz += ekz_arr[l];
-        }
+      for (int l = 0; l < order; l++) {
+        ekx += ekx_arr[l];
+	eky += eky_arr[l];
+	ekz += ekz_arr[l];
+      }
 
       // convert E-field to force
 
@@ -1643,12 +1647,12 @@
 
       particle_ekx[i] = particle_eky[i] = particle_ekz[i] = ZEROF;
       #if defined(LMP_SIMD_COMPILER)
-      #pragma loop_count=7
+      #pragma loop_count min(2), max(INTEL_P3M_ALIGNED_MAXORDER), avg(7)
       #endif
       for (int n = 0; n < order; n++) {
         int mz = n + nzsum;
         #if defined(LMP_SIMD_COMPILER)
-        #pragma loop_count=7
+        #pragma loop_count min(2), max(INTEL_P3M_ALIGNED_MAXORDER), avg(7)
         #endif
         for (int m = 0; m < order; m++) {
           int my = m + nysum;
@@ -1656,9 +1660,10 @@
           FFT_SCALAR eky_p = drho[1][m] * rho[2][n];
           FFT_SCALAR ekz_p = rho[1][m] * drho[2][n];
           #if defined(LMP_SIMD_COMPILER)
+          #pragma loop_count min(2), max(INTEL_P3M_ALIGNED_MAXORDER), avg(7)
           #pragma simd
           #endif
-          for (int l = 0; l < INTEL_P3M_ALIGNED_MAXORDER; l++) {
+          for (int l = 0; l < order; l++) {
             int mx = l + nxsum;
             ekx[l] += drho[0][l] * ekx_p * u_brick[mz][my][mx];
             eky[l] +=  rho[0][l] * eky_p * u_brick[mz][my][mx];
@@ -1668,9 +1673,9 @@
       }
 
       #if defined(LMP_SIMD_COMPILER)
-      #pragma simd
+      #pragma loop_count min(2), max(INTEL_P3M_ALIGNED_MAXORDER), avg(7)
       #endif
-      for (int l = 0; l < INTEL_P3M_ALIGNED_MAXORDER; l++){
+      for (int l = 0; l < order; l++){
         particle_ekx[i] += ekx[l];
         particle_eky[i] += eky[l];
         particle_ekz[i] += ekz[l];
@@ -1809,21 +1814,22 @@
       _alignvar(FFT_SCALAR ekz_arr[INTEL_P3M_ALIGNED_MAXORDER], 64) = {0};
 
       #if defined(LMP_SIMD_COMPILER)
-      #pragma loop_count=7
+      #pragma loop_count min(2), max(INTEL_P3M_ALIGNED_MAXORDER), avg(7)
       #endif
       for (int n = 0; n < order_6; n++) {
         int mz = n+nzsum;
         FFT_SCALAR z0 = rho2[n];
         #if defined(LMP_SIMD_COMPILER)
-        #pragma loop_count=7
+        #pragma loop_count min(2), max(INTEL_P3M_ALIGNED_MAXORDER), avg(7)
         #endif
         for (int m = 0; m < order_6; m++) {
           int my = m+nysum;
           FFT_SCALAR y0 = z0*rho1[m];
           #if defined(LMP_SIMD_COMPILER)
+          #pragma loop_count min(2), max(INTEL_P3M_ALIGNED_MAXORDER), avg(7)
           #pragma simd
           #endif
-          for (int l = 0; l < INTEL_P3M_ALIGNED_MAXORDER; l++) {
+          for (int l = 0; l < order; l++) {
             int mx = l+nxsum;
             FFT_SCALAR x0 = y0*rho0[l];
               ekx_arr[l] -= x0*vdx_brick_g[mz][my][mx];
@@ -1837,12 +1843,11 @@
       FFT_SCALAR ekx, eky, ekz;
       ekx = eky = ekz = ZEROF;
 
-
-        for (int l = 0; l < INTEL_P3M_ALIGNED_MAXORDER; l++) {
-          ekx += ekx_arr[l];
-          eky += eky_arr[l];
-          ekz += ekz_arr[l];
-        }
+      for (int l = 0; l < order; l++) {
+        ekx += ekx_arr[l];
+	eky += eky_arr[l];
+	ekz += ekz_arr[l];
+      }
 
       // convert E-field to force
 
@@ -1985,12 +1990,12 @@
 
       particle_ekx[i] = particle_eky[i] = particle_ekz[i] = ZEROF;
       #if defined(LMP_SIMD_COMPILER)
-      #pragma loop_count=7
+      #pragma loop_count min(2), max(INTEL_P3M_ALIGNED_MAXORDER), avg(7)
       #endif
       for (int n = 0; n < order_6; n++) {
         int mz = n + nzsum;
         #if defined(LMP_SIMD_COMPILER)
-        #pragma loop_count=7
+        #pragma loop_count min(2), max(INTEL_P3M_ALIGNED_MAXORDER), avg(7)
         #endif
         for (int m = 0; m < order_6; m++) {
           int my = m + nysum;
@@ -1998,9 +2003,10 @@
           FFT_SCALAR eky_p = drho[1][m] * rho[2][n];
           FFT_SCALAR ekz_p = rho[1][m] * drho[2][n];
           #if defined(LMP_SIMD_COMPILER)
+          #pragma loop_count min(2), max(INTEL_P3M_ALIGNED_MAXORDER), avg(7)
           #pragma simd
           #endif
-          for (int l = 0; l < INTEL_P3M_ALIGNED_MAXORDER; l++) {
+          for (int l = 0; l < order; l++) {
             int mx = l + nxsum;
             ekx[l] += drho[0][l] * ekx_p * u_brick_g[mz][my][mx];
             eky[l] +=  rho[0][l] * eky_p * u_brick_g[mz][my][mx];
@@ -2010,9 +2016,9 @@
       }
 
       #if defined(LMP_SIMD_COMPILER)
-      #pragma simd
+      #pragma loop_count min(2), max(INTEL_P3M_ALIGNED_MAXORDER), avg(7)
       #endif
-      for (int l = 0; l < INTEL_P3M_ALIGNED_MAXORDER; l++){
+      for (int l = 0; l < order; l++){
         particle_ekx[i] += ekx[l];
         particle_eky[i] += eky[l];
         particle_ekz[i] += ekz[l];
@@ -2168,21 +2174,22 @@
 
 
       #if defined(LMP_SIMD_COMPILER)
-      #pragma loop_count=7
+      #pragma loop_count min(2), max(INTEL_P3M_ALIGNED_MAXORDER), avg(7)
       #endif
       for (int n = 0; n < order_6; n++) {
         int mz = n+nzsum;
         FFT_SCALAR z0 = rho2[n];
         #if defined(LMP_SIMD_COMPILER)
-        #pragma loop_count=7
+        #pragma loop_count min(2), max(INTEL_P3M_ALIGNED_MAXORDER), avg(7)
         #endif
         for (int m = 0; m < order_6; m++) {
           int my = m+nysum;
           FFT_SCALAR y0 = z0*rho1[m];
           #if defined(LMP_SIMD_COMPILER)
+          #pragma loop_count min(2), max(INTEL_P3M_ALIGNED_MAXORDER), avg(7)
           #pragma simd
           #endif
-          for (int l = 0; l < INTEL_P3M_ALIGNED_MAXORDER; l++) {
+          for (int l = 0; l < order; l++) {
             int mx = l+nxsum;
             FFT_SCALAR x0 = y0*rho0[l];
               ekx0_arr[l] -= x0*vdx_brick_a0[mz][my][mx];
@@ -2221,29 +2228,29 @@
       ekx5 = eky5 = ekz5 = ZEROF;
       ekx6 = eky6 = ekz6 = ZEROF;
 
-        for (int l = 0; l < INTEL_P3M_ALIGNED_MAXORDER; l++) {
-          ekx0 += ekx0_arr[l];
-          eky0 += eky0_arr[l];
-          ekz0 += ekz0_arr[l];
-          ekx1 += ekx1_arr[l];
-          eky1 += eky1_arr[l];
-          ekz1 += ekz1_arr[l];
-          ekx2 += ekx2_arr[l];
-          eky2 += eky2_arr[l];
-          ekz2 += ekz2_arr[l];
-          ekx3 += ekx3_arr[l];
-          eky3 += eky3_arr[l];
-          ekz3 += ekz3_arr[l];
-          ekx4 += ekx4_arr[l];
-          eky4 += eky4_arr[l];
-          ekz4 += ekz4_arr[l];
-          ekx5 += ekx5_arr[l];
-          eky5 += eky5_arr[l];
-          ekz5 += ekz5_arr[l];
-          ekx6 += ekx6_arr[l];
-          eky6 += eky6_arr[l];
-          ekz6 += ekz6_arr[l];
-        }
+      for (int l = 0; l < order; l++) {
+	ekx0 += ekx0_arr[l];
+	eky0 += eky0_arr[l];
+	ekz0 += ekz0_arr[l];
+	ekx1 += ekx1_arr[l];
+	eky1 += eky1_arr[l];
+	ekz1 += ekz1_arr[l];
+	ekx2 += ekx2_arr[l];
+	eky2 += eky2_arr[l];
+	ekz2 += ekz2_arr[l];
+	ekx3 += ekx3_arr[l];
+	eky3 += eky3_arr[l];
+	ekz3 += ekz3_arr[l];
+	ekx4 += ekx4_arr[l];
+	eky4 += eky4_arr[l];
+	ekz4 += ekz4_arr[l];
+	ekx5 += ekx5_arr[l];
+	eky5 += eky5_arr[l];
+	ekz5 += ekz5_arr[l];
+	ekx6 += ekx6_arr[l];
+	eky6 += eky6_arr[l];
+	ekz6 += ekz6_arr[l];
+      }
 
       // convert D-field to force
 
@@ -2439,12 +2446,12 @@
       particle_ekx6[i] = particle_eky6[i] = particle_ekz6[i] = ZEROF;
 
       #if defined(LMP_SIMD_COMPILER)
-      #pragma loop_count=7
+      #pragma loop_count min(2), max(INTEL_P3M_ALIGNED_MAXORDER), avg(7)
       #endif
       for (int n = 0; n < order_6; n++) {
         int mz = n + nzsum;
         #if defined(LMP_SIMD_COMPILER)
-        #pragma loop_count=7
+        #pragma loop_count min(2), max(INTEL_P3M_ALIGNED_MAXORDER), avg(7)
         #endif
         for (int m = 0; m < order_6; m++) {
           int my = m + nysum;
@@ -2452,9 +2459,10 @@
           FFT_SCALAR eky_p = drho[1][m] * rho[2][n];
           FFT_SCALAR ekz_p = rho[1][m] * drho[2][n];
           #if defined(LMP_SIMD_COMPILER)
+          #pragma loop_count min(2), max(INTEL_P3M_ALIGNED_MAXORDER), avg(7)
           #pragma simd
           #endif
-          for (int l = 0; l < INTEL_P3M_ALIGNED_MAXORDER; l++) {
+          for (int l = 0; l < order; l++) {
             int mx = l + nxsum;
             FFT_SCALAR x0 = drho[0][l] * ekx_p;
             FFT_SCALAR y0 = rho[0][l] * eky_p;
@@ -2486,9 +2494,9 @@
       }
 
       #if defined(LMP_SIMD_COMPILER)
-      #pragma simd
+      #pragma loop_count min(2), max(INTEL_P3M_ALIGNED_MAXORDER), avg(7)
       #endif
-      for (int l = 0; l < INTEL_P3M_ALIGNED_MAXORDER; l++){
+      for (int l = 0; l < order; l++){
         particle_ekx0[i] += ekx0[l];
         particle_eky0[i] += eky0[l];
         particle_ekz0[i] += ekz0[l];
@@ -2681,21 +2689,22 @@
 
       for (int k = 0; k < nsplit; k++) {
         #if defined(LMP_SIMD_COMPILER)
-        #pragma loop_count=7
+        #pragma loop_count min(2), max(INTEL_P3M_ALIGNED_MAXORDER), avg(7)
         #endif
         for (int n = 0; n < order_6; n++) {
           int mz = n+nzsum;
           FFT_SCALAR z0 = rho2[n];
           #if defined(LMP_SIMD_COMPILER)
-          #pragma loop_count=7
+          #pragma loop_count min(2), max(INTEL_P3M_ALIGNED_MAXORDER), avg(7)
           #endif
           for (int m = 0; m < order_6; m++) {
             int my = m+nysum;
             FFT_SCALAR y0 = z0*rho1[m];
             #if defined(LMP_SIMD_COMPILER)
+            #pragma loop_count min(2), max(INTEL_P3M_ALIGNED_MAXORDER), avg(7)
             #pragma simd
             #endif
-            for (int l = 0; l < INTEL_P3M_ALIGNED_MAXORDER; l++) {
+            for (int l = 0; l < order; l++) {
               int mx = l+nxsum;
               FFT_SCALAR x0 = y0*rho0[l];
               ekx_arr[k*INTEL_P3M_ALIGNED_MAXORDER + l] -=
@@ -2716,13 +2725,13 @@
         ekx[k] = eky[k] = ekz[k] = ZEROF;
       }
 
-        for (int l = 0; l < INTEL_P3M_ALIGNED_MAXORDER; l++) {
-          for (int k = 0; k < nsplit; k++) {
-            ekx[k] += ekx_arr[k*INTEL_P3M_ALIGNED_MAXORDER + l];
-            eky[k] += eky_arr[k*INTEL_P3M_ALIGNED_MAXORDER + l];
-            ekz[k] += ekz_arr[k*INTEL_P3M_ALIGNED_MAXORDER + l];
-          }
-        }
+      for (int l = 0; l < order; l++) {
+	for (int k = 0; k < nsplit; k++) {
+	  ekx[k] += ekx_arr[k*INTEL_P3M_ALIGNED_MAXORDER + l];
+	  eky[k] += eky_arr[k*INTEL_P3M_ALIGNED_MAXORDER + l];
+	  ekz[k] += ekz_arr[k*INTEL_P3M_ALIGNED_MAXORDER + l];
+	}
+      }
 
       // convert E-field to force
 
@@ -2867,12 +2876,12 @@
       for (int k = 0; k < nsplit; k++) {
         particle_ekx[i] = particle_eky[i] = particle_ekz[i] = ZEROF;
         #if defined(LMP_SIMD_COMPILER)
-        #pragma loop_count=7
+        #pragma loop_count min(2), max(INTEL_P3M_ALIGNED_MAXORDER), avg(7)
         #endif
         for (int n = 0; n < order_6; n++) {
           int mz = n + nzsum;
           #if defined(LMP_SIMD_COMPILER)
-          #pragma loop_count=7
+          #pragma loop_count min(2), max(INTEL_P3M_ALIGNED_MAXORDER), avg(7)
           #endif
           for (int m = 0; m < order_6; m++) {
             int my = m + nysum;
@@ -2880,9 +2889,10 @@
             FFT_SCALAR eky_p = drho[1][m] * rho[2][n];
             FFT_SCALAR ekz_p = rho[1][m] * drho[2][n];
             #if defined(LMP_SIMD_COMPILER)
+            #pragma loop_count min(2), max(INTEL_P3M_ALIGNED_MAXORDER), avg(7)
             #pragma simd
             #endif
-            for (int l = 0; l < INTEL_P3M_ALIGNED_MAXORDER; l++) {
+            for (int l = 0; l < order; l++) {
               int mx = l + nxsum;
               ekx[k*INTEL_P3M_ALIGNED_MAXORDER+l] += drho[0][l] * ekx_p *
                 u_brick_none[k][mz][my][mx];
@@ -2903,9 +2913,9 @@
       }
 
       #if defined(LMP_SIMD_COMPILER)
-      #pragma simd
+      #pragma loop_count min(2), max(INTEL_P3M_ALIGNED_MAXORDER), avg(7)
       #endif
-      for (int l = 0; l < INTEL_P3M_ALIGNED_MAXORDER; l++){
+      for (int l = 0; l < order; l++){
         for (int k = 0; k < nsplit; k++) {
           ekx_tot[k] += ekx[k*INTEL_P3M_ALIGNED_MAXORDER+l];
           eky_tot[k] += eky[k*INTEL_P3M_ALIGNED_MAXORDER+l];
diff -Naur lammps-23Jun17/src/USER-INTEL/pppm_intel.cpp lammps-6Jul17/src/USER-INTEL/pppm_intel.cpp
--- lammps-23Jun17/src/USER-INTEL/pppm_intel.cpp	2017-06-20 07:46:34.000000000 -0600
+++ lammps-6Jul17/src/USER-INTEL/pppm_intel.cpp	2017-07-03 08:52:44.762348000 -0600
@@ -149,13 +149,13 @@
     memory->destroy3d_offset(vdy_brick,nzlo_out,nylo_out,nxlo_out);
     memory->destroy3d_offset(vdz_brick,nzlo_out,nylo_out,nxlo_out);
     memory->destroy3d_offset(vdxy_brick, nzlo_out, nylo_out, 2*nxlo_out);
-    memory->create3d_offset(vdxy_brick, nzlo_out, nzhi_out+2,
-                            nylo_out, nyhi_out, 2*nxlo_out, 2*nxhi_out+1,
-                            "pppmintel:vdxy_brick");
+    create3d_offset(vdxy_brick, nzlo_out, nzhi_out+2,
+		    nylo_out, nyhi_out, 2*nxlo_out, 2*nxhi_out+1,
+		    "pppmintel:vdxy_brick");
     memory->destroy3d_offset(vdz0_brick, nzlo_out, nylo_out, 2*nxlo_out);
-    memory->create3d_offset(vdz0_brick, nzlo_out, nzhi_out+2,
-                            nylo_out, nyhi_out, 2*nxlo_out, 2*nxhi_out+1,
-                            "pppmintel:vdz0_brick");
+    create3d_offset(vdz0_brick, nzlo_out, nzhi_out+2,
+		    nylo_out, nyhi_out, 2*nxlo_out, 2*nxhi_out+1,
+		    "pppmintel:vdz0_brick");
     memory->destroy(work3);
     memory->create(work3, 2*nfft_both, "pppmintel:work3");
 
@@ -555,13 +555,13 @@
       FFT_SCALAR z0 = fdelvolinv * q[i];
 
       #if defined(LMP_SIMD_COMPILER)
-      #pragma loop_count=7
+      #pragma loop_count min(2), max(INTEL_P3M_ALIGNED_MAXORDER), avg(7)
       #endif
       for (int n = 0; n < order; n++) {
         int mz = n*nix*niy + nzsum;
         FFT_SCALAR y0 = z0*rho[2][n];
         #if defined(LMP_SIMD_COMPILER)
-        #pragma loop_count=7
+        #pragma loop_count min(2), max(INTEL_P3M_ALIGNED_MAXORDER), avg(7)
         #endif
         for (int m = 0; m < order; m++) {
           int mzy = m*nix + mz;
@@ -708,13 +708,13 @@
       _alignvar(FFT_SCALAR ekz0_arr[2 * INTEL_P3M_ALIGNED_MAXORDER], 64) = {0};
 
       #if defined(LMP_SIMD_COMPILER)
-      #pragma loop_count=7
+      #pragma loop_count min(2), max(INTEL_P3M_ALIGNED_MAXORDER), avg(7)
       #endif
       for (int n = 0; n < order; n++) {
         int mz = n+nzsum;
         FFT_SCALAR z0 = rho2[n];
         #if defined(LMP_SIMD_COMPILER)
-        #pragma loop_count=7
+        #pragma loop_count min(2), max(INTEL_P3M_ALIGNED_MAXORDER), avg(7)
         #endif
         for (int m = 0; m < order; m++) {
           int my = m+nysum;
@@ -742,13 +742,13 @@
       ekx = eky = ekz = ZEROF;
 
       if (use_packing) {
-        for (int l = 0; l < 2*INTEL_P3M_ALIGNED_MAXORDER; l += 2) {
+        for (int l = 0; l < 2*order; l += 2) {
           ekx += ekxy_arr[l];
           eky += ekxy_arr[l+1];
           ekz += ekz0_arr[l];
         }
       } else {
-        for (int l = 0; l < INTEL_P3M_ALIGNED_MAXORDER; l++) {
+        for (int l = 0; l < order; l++) {
           ekx += ekx_arr[l];
           eky += eky_arr[l];
           ekz += ekz_arr[l];
@@ -896,12 +896,12 @@
       particle_ekx[i] = particle_eky[i] = particle_ekz[i] = ZEROF;
 
       #if defined(LMP_SIMD_COMPILER)
-      #pragma loop_count=7
+      #pragma loop_count min(2), max(INTEL_P3M_ALIGNED_MAXORDER), avg(7)
       #endif
       for (int n = 0; n < order; n++) {
         int mz = n + nzsum;
         #if defined(LMP_SIMD_COMPILER)
-        #pragma loop_count=7
+        #pragma loop_count min(2), max(INTEL_P3M_ALIGNED_MAXORDER), avg(7)
         #endif
         for (int m = 0; m < order; m++) {
           int my = m + nysum;
@@ -921,9 +921,9 @@
       }
 
       #if defined(LMP_SIMD_COMPILER)
-      #pragma simd
+      #pragma loop_count min(2), max(INTEL_P3M_ALIGNED_MAXORDER), avg(7)
       #endif
-      for (int l = 0; l < INTEL_P3M_ALIGNED_MAXORDER; l++){
+      for (int l = 0; l < order; l++){
         particle_ekx[i] += ekx[l];
         particle_eky[i] += eky[l];
         particle_ekz[i] += ekz[l];
@@ -1241,6 +1241,73 @@
 }
 
 /* ----------------------------------------------------------------------
+   Allocate density_brick with extra padding for vector writes
+------------------------------------------------------------------------- */
+
+void PPPMIntel::allocate()
+{
+  PPPM::allocate();
+  memory->destroy3d_offset(density_brick,nzlo_out,nylo_out,nxlo_out);
+  create3d_offset(density_brick,nzlo_out,nzhi_out,nylo_out,nyhi_out,
+		  nxlo_out,nxhi_out,"pppm:density_brick");
+
+  if (differentiation_flag == 1) {
+    memory->destroy3d_offset(u_brick,nzlo_out,nylo_out,nxlo_out);
+    create3d_offset(u_brick,nzlo_out,nzhi_out,nylo_out,nyhi_out,
+	            nxlo_out,nxhi_out,"pppm:u_brick");
+  } else {
+    memory->destroy3d_offset(vdx_brick,nzlo_out,nylo_out,nxlo_out);
+    memory->destroy3d_offset(vdy_brick,nzlo_out,nylo_out,nxlo_out);
+    memory->destroy3d_offset(vdz_brick,nzlo_out,nylo_out,nxlo_out);
+    create3d_offset(vdx_brick,nzlo_out,nzhi_out,nylo_out,nyhi_out,
+	            nxlo_out,nxhi_out,"pppm:vdx_brick");
+    create3d_offset(vdy_brick,nzlo_out,nzhi_out,nylo_out,nyhi_out,
+	            nxlo_out,nxhi_out,"pppm:vdy_brick");
+    create3d_offset(vdz_brick,nzlo_out,nzhi_out,nylo_out,nyhi_out,
+	            nxlo_out,nxhi_out,"pppm:vdz_brick");
+  }
+}
+
+/* ----------------------------------------------------------------------
+   Create 3D-offset allocation with extra padding for vector writes
+------------------------------------------------------------------------- */
+
+FFT_SCALAR *** PPPMIntel::create3d_offset(FFT_SCALAR ***&array, int n1lo, 
+	                                  int n1hi, int n2lo, int n2hi, 
+	                                  int n3lo, int n3hi,
+	                                  const char *name)
+{
+  int n1 = n1hi - n1lo + 1;
+  int n2 = n2hi - n2lo + 1;
+  int n3 = n3hi - n3lo + 1;
+
+  bigint nbytes = ((bigint) sizeof(FFT_SCALAR)) * n1*n2*n3 + 
+    INTEL_P3M_ALIGNED_MAXORDER*2;
+  FFT_SCALAR *data = (FFT_SCALAR *) memory->smalloc(nbytes,name);
+  nbytes = ((bigint) sizeof(FFT_SCALAR *)) * n1*n2;
+  FFT_SCALAR **plane = (FFT_SCALAR **) memory->smalloc(nbytes,name);
+  nbytes = ((bigint) sizeof(FFT_SCALAR **)) * n1;
+  array = (FFT_SCALAR ***) memory->smalloc(nbytes,name);
+
+  bigint m;
+  bigint n = 0;
+  for (int i = 0; i < n1; i++) {
+    m = ((bigint) i) * n2;
+    array[i] = &plane[m];
+    for (int j = 0; j < n2; j++) {
+      plane[m+j] = &data[n];
+      n += n3;
+    }
+  }
+
+  m = ((bigint) n1) * n2;
+  for (bigint i = 0; i < m; i++) array[0][i] -= n3lo;
+  for (int i = 0; i < n1; i++) array[i] -= n2lo;
+  array -= n1lo;
+  return array;
+}
+
+/* ----------------------------------------------------------------------
    Returns 0 if Intel optimizations for PPPM ignored due to offload
 ------------------------------------------------------------------------- */
 
diff -Naur lammps-23Jun17/src/USER-INTEL/pppm_intel.h lammps-6Jul17/src/USER-INTEL/pppm_intel.h
--- lammps-23Jun17/src/USER-INTEL/pppm_intel.h	2017-06-20 07:46:34.000000000 -0600
+++ lammps-6Jul17/src/USER-INTEL/pppm_intel.h	2017-07-03 08:52:44.762348000 -0600
@@ -74,9 +74,10 @@
   int _use_base;
   #endif
 
-    template<class flt_t, class acc_t>
-    void test_function(IntelBuffers<flt_t,acc_t> *buffers);
+  virtual void allocate();
 
+  template<class flt_t, class acc_t>
+  void test_function(IntelBuffers<flt_t,acc_t> *buffers);
 
   void precompute_rho();
   template<class flt_t, class acc_t>
@@ -120,6 +121,8 @@
       fieldforce_ad<flt_t,acc_t,0>(buffers);
     }
   }
+  FFT_SCALAR ***create3d_offset(FFT_SCALAR ***&, int, int, int,
+				int, int, int, const char *name);
 };
 
 }
diff -Naur lammps-23Jun17/src/USER-MANIFOLD/manifold_gaussian_bump.cpp lammps-6Jul17/src/USER-MANIFOLD/manifold_gaussian_bump.cpp
--- lammps-23Jun17/src/USER-MANIFOLD/manifold_gaussian_bump.cpp	2017-06-15 09:50:15.000000000 -0600
+++ lammps-6Jul17/src/USER-MANIFOLD/manifold_gaussian_bump.cpp	2017-06-30 11:28:55.169850000 -0600
@@ -1,138 +1,374 @@
 #include "manifold_gaussian_bump.h"
 
+#include "comm.h"
+#include "error.h"
+
 using namespace LAMMPS_NS;
 using namespace user_manifold;
 
+// This manifold comes with some baggage;
+// it needs a taper function that is sufficiently smooth
+// so we use a cubic Hermite interpolation and then for
+// efficiency we construct a lookup table for that....
+
+class cubic_hermite
+{
+public:
+  // Represent x-polynomial as  a * t^3 + b * t^2 + c*t + d.
+  double a, b, c, d;
+  // And y-polynomial as s * t^3 + u * t^2 + v * t + w.
+  double s, u, v, w;
+
+  double x0, x1, y0, y1, yp0, yp1;
+
+  LAMMPS_NS::Error *err;
+
+  cubic_hermite( double x0, double x1, double y0, double y1,
+                 double yp0, double yp1, LAMMPS_NS::Error *err ) :
+    x0(x0), x1(x1), y0(y0), y1(y1), yp0(yp0), yp1(yp1),
+    a(  2*x0 + 2 - 2*x1 ),
+    b( -3*x0 - 3 + 3*x1 ),
+    c( 1.0 ),
+    d( x0 ),
+    s(  2*y0 - 2*y1 +   yp0 + yp1 ),
+    u( -3*y0 + 3*y1 - 2*yp0 - yp1  ),
+    v(  yp0  ),
+    w(  y0 ),
+    err(err)
+  {
+    test();
+  }
+
+
+  void test()
+  {
+    if( fabs( x(0) - x0 ) > 1e-8 ) err->one(FLERR, "x0 wrong");
+    if( fabs( x(1) - x1 ) > 1e-8 ) err->one(FLERR, "x1 wrong");
+    if( fabs( y(0) - y0 ) > 1e-8 ) err->one(FLERR, "y0 wrong");
+    if( fabs( y(1) - y1 ) > 1e-8 ) err->one(FLERR, "y1 wrong");
+  }
+
+  double get_t_from_x( double xx ) const
+  {
+    if( xx < x0 || xx > x1 ){
+      char msg[2048];
+      sprintf(msg, "x ( %g ) out of bounds [%g, %g]", xx, x0, x1 );
+      err->one(FLERR, msg);
+    }
+
+    // Newton iterate to get right t.
+    double t  = xx - x0;
+    double dx = x1 - x0;
+    // Reasonable initial guess I hope:
+    t /= dx;
+
+    double tol = 1e-8;
+    int maxit = 500;
+    double ff  = x(t) - xx;
+    double ffp = xp(t);
+    // double l   = 1.0 / ( 1 + res*res );
+    for( int i = 0; i < maxit; ++i ){
+      t -= ff / ffp;
+      ff  = x(t) - xx;
+      ffp = xp(t);
+      double res = ff;
+      if( fabs( res ) < tol ){
+        return t;
+      }
+    }
+    err->warning(FLERR, "Convergence failed");
+    return t;
+  }
+
+  double x( double t ) const
+  {
+    double t2 = t*t;
+    double t3 = t2*t;
+    return a*t3 + b*t2 + c*t + d;
+  }
+
+  double y_from_x( double x ) const
+  {
+    double t = get_t_from_x( x );
+    return y(t);
+  }
+
+  double yp_from_x( double x ) const
+  {
+    double t = get_t_from_x( x );
+    return yp(t);
+  }
+
+  double y( double t ) const
+  {
+    double t2 = t*t;
+    double t3 = t2*t;
+    return s*t3 + u*t2 + v*t + w;
+  }
+
+  void xy( double t, double &xx, double &yy ) const
+  {
+    xx = x(t);
+    yy = y(t);
+  }
+
+  double xp( double t ) const
+  {
+    double t2 = t*t;
+    return 3*a*t2 + 2*b*t + c;
+  }
+
+  double yp( double t ) const
+  {
+    double t2 = t*t;
+    return 3*t2*s + 2*u*t + v;
+  }
+
+  double xpp( double t ) const
+  {
+    return 6*a*t + 2*b;
+  }
+
+};
+
+// Manifold itself:
+manifold_gaussian_bump::manifold_gaussian_bump(class LAMMPS* lmp,
+                                               int narg, char **arg)
+	: manifold(lmp), lut_z(NULL), lut_zp(NULL) {}
+
+
+manifold_gaussian_bump::~manifold_gaussian_bump()
+{
+  if( lut_z  ) delete lut_z;
+  if( lut_zp ) delete lut_zp;
+}
+
+
 // The constraint is z = f(r = sqrt( x^2 + y^2) )
 // f(x) = A*exp( -x^2 / 2 l^2 )       if x < rc1
-//      = a + b*x + c*x**2 + d*x**3   if rc1 <= x < rc2
+//      = Some interpolation          if rc1 <= rc2
 //      = 0                           if x >= rc2
 //
 double manifold_gaussian_bump::g( const double *x )
 {
-	double xf[3];
-	xf[0] = x[0];
-	xf[1] = x[1];
-	xf[2] = 0.0;
-	
-	double x2 = dot(xf,xf);
-	if( x2 < rc12 ){
-		return x[2] - gaussian_bump_x2( x2 );
-	}else if( x2 < rc22 ){
-		double rr = sqrt(x2);
-		double xi = rr - rc1;
-		xi *= inv_dr;
-		double xi2 = x2 * inv_dr*inv_dr;
-		double xi3 = xi*xi2;
-		return x[2] - ( aa + bb*xi + cc*xi2 + dd*xi3 );
-		
-	}else{
-		return x[2];
-	}
+  double xf[3];
+  xf[0] = x[0];
+  xf[1] = x[1];
+  xf[2] = 0.0;
+
+  double x2 = dot(xf,xf);
+  if( x2 < rc12 ){
+    return x[2] - gaussian_bump_x2( x2 );
+  }else if( x2 < rc22 ){
+    double rr = sqrt( x2 );
+    double z_taper_func = lut_get_z( rr );
+    return x[2] - z_taper_func;
+  }else{
+    return x[2];
+  }
 }
 
 void   manifold_gaussian_bump::n( const double *x, double *nn )
 {
-	double xf[3];
-	xf[0] = x[0];
-	xf[1] = x[1];
-	xf[2] = 0.0;
-	nn[2] = 1.0;
-	
-	double x2 = dot(xf,xf);
-	
-	if( x2 < rc12 ){
-		double factor = gaussian_bump_x2(x2);
-		factor /= (ll*ll);
-		nn[0] = factor * x[0];
-		nn[1] = factor * x[1];
-	}else if( x2 < rc22 ){
-		double rr = sqrt(x2);
-		double xi = rr - rc1;
-		xi *= inv_dr;
-		double xi2 = x2 * inv_dr*inv_dr;
-		double der = bb + 2*cc*xi + 3*dd*xi2;
-		
-		nn[0] = -der * x[0] / rr;
-		nn[1] = -der * x[1] / rr;
-	}else{
-		nn[0] = nn[1] = 0.0;
-	}
+  double xf[3];
+  xf[0] = x[0];
+  xf[1] = x[1];
+  xf[2] = 0.0;
+  nn[2] = 1.0;
+
+  double x2 = dot(xf,xf);
+
+  if( x2 < rc12 ){
+    double factor = gaussian_bump_x2(x2);
+    factor /= (ll*ll);
+    nn[0] = factor * x[0];
+    nn[1] = factor * x[1];
+  }else if( x2 < rc22 ){
+    double rr = sqrt( x2 );
+    double zp_taper_func = lut_get_zp( rr );
+
+    double inv_r = 1.0 / rr;
+    double der_part = zp_taper_func * inv_r;
+
+    nn[0] = der_part * x[0];
+    nn[1] = der_part * x[1];
+
+  }else{
+    nn[0] = nn[1] = 0.0;
+  }
 }
 
 double manifold_gaussian_bump::g_and_n( const double *x, double *nn )
 {
-	double xf[3];
-	xf[0] = x[0];
-	xf[1] = x[1];
-	xf[2] = 0.0;
-	nn[2] = 1.0;
-	
-	double x2 = dot(xf,xf);
-	if( x2 < rc12 ){
-		double gb = gaussian_bump_x2(x2);
-		double factor = gb / (ll*ll);
-		nn[0] = factor * x[0];
-		nn[1] = factor * x[1];
-		
-		return x[2] - gb;
-	}else if( x2 < rc22 ){
-		
-		double rr = sqrt(x2);
-		double xi = rr - rc1;
-		xi *= inv_dr;
-		double xi2 = x2 * inv_dr*inv_dr;
-		double xi3 = xi*xi2;
-
-		double der = bb + 2*cc*xi + 3*dd*xi2;
-		
-		nn[0] = -der * x[0] / rr;
-		nn[1] = -der * x[1] / rr;
-
-		
-		return x[2] - ( aa + bb*xi + cc*xi2 + dd*xi3 );
-		
-	}else{
-		nn[0] = nn[1] = 0.0;
-		return x[2];
-	}
-	
+  double xf[3];
+  xf[0] = x[0];
+  xf[1] = x[1];
+  xf[2] = 0.0;
+  nn[2] = 1.0;
+
+  double x2 = dot(xf,xf);
+  if( x2 < rc12 ){
+    double gb = gaussian_bump_x2(x2);
+    double factor = gb / (ll*ll);
+    nn[0] = factor * x[0];
+    nn[1] = factor * x[1];
+
+    return x[2] - gb;
+  }else if( x2 < rc22 ){
+    double z_taper_func, zp_taper_func;
+    double rr = sqrt( x2 );
+    lut_get_z_and_zp( rr, z_taper_func, zp_taper_func );
+
+    double inv_r = 1.0 / rr;
+    double der_part = zp_taper_func * inv_r;
+
+    nn[0] = der_part * x[0];
+    nn[1] = der_part * x[1];
+
+    return x[2] - z_taper_func;
+  }else{
+    nn[0] = nn[1] = 0.0;
+    return x[2];
+  }
+
 }
 
 
 void manifold_gaussian_bump::post_param_init()
 {
-	// Read in the params:
-	AA  = params[0];
-	ll  = params[1];
-	rc1 = params[2];
-	rc2 = params[3];
+  // Read in the params:
+  AA  = params[0];
+  ll  = params[1];
+  rc1 = params[2];
+  rc2 = params[3];
+
+  ll2 = 2.0*ll*ll;
+
+  rc12 = rc1*rc1;
+  rc22 = rc2*rc2;
+  dr = rc2 - rc1;
+  inv_dr = 1.0 / dr;
+
+  f_at_rc  = gaussian_bump_x2 ( rc12 );
+  fp_at_rc = gaussian_bump_der( rc1 );
+
+
+
+  make_lut();
+
+  // test_lut();
+}
+
+
+double manifold_gaussian_bump::gaussian_bump( double x ) const
+{
+  double x2 = x*x;
+  return gaussian_bump_x2( x2 );
+}
+
+double manifold_gaussian_bump::gaussian_bump_x2( double x2 ) const
+{
+  return AA*exp( -x2 / ll2 );
+}
+
+double manifold_gaussian_bump::gaussian_bump_der( double x ) const
+{
+  double x2 = x*x;
+  return gaussian_bump_x2( x2 )*( -x/(ll*ll) );
+}
 
-	ll2 = 2.0*ll*ll;
 
-	f_at_rc  = gaussian_bump_x2 ( rc12 );
-	fp_at_rc = gaussian_bump_der( rc12 );
+void manifold_gaussian_bump::make_lut()
+{
 
-	rc12 = rc1*rc1;
-	rc22 = rc2*rc2;
-	dr = rc2 - rc1;
-	inv_dr = 1.0 / dr;
+  lut_x0 = rc1;
+  lut_x1 = rc2;
+  lut_Nbins = 1024; // Don't make it too big, it should fit in cache.
+  lut_z  = new double[lut_Nbins+1];
+  lut_zp = new double[lut_Nbins+1];
+
+  lut_dx = (lut_x1 - lut_x0) / lut_Nbins;
+
+  cubic_hermite pchip( lut_x0, lut_x1, f_at_rc, 0.0, fp_at_rc, 0.0, error );
+
+  double xx = lut_x0;
+  for( int i = 0; i <= lut_Nbins; ++i ){
+    lut_z[i]  = pchip.y_from_x( xx );
+    lut_zp[i] = pchip.yp_from_x( xx );
+    xx += lut_dx;
+  }
 }
 
 
-double manifold_gaussian_bump::gaussian_bump( double x )
+double manifold_gaussian_bump::lut_get_z ( double rr ) const
+{
+  double xs   = rr - lut_x0;
+  double xss  = xs / lut_dx;
+  int    bin  = static_cast<int>(xss);
+  double frac = xss - bin;
+
+  double zleft  = lut_z[bin];
+  double zright = lut_z[bin+1];
+
+  return zleft * ( 1 - frac ) + frac * zright;
+}
+
+double manifold_gaussian_bump::lut_get_zp( double rr ) const
 {
-	double x2 = x*x;
-	return gaussian_bump_x2( x2 );
+  double xs   = rr - lut_x0;
+  double xss  = xs / lut_dx;
+  int    bin  = static_cast<int>(xss);
+  double frac = xss - bin;
+
+  double zleft  = lut_zp[bin];
+  double zright = lut_zp[bin+1];
+
+  return zleft * ( 1 - frac) + frac * zright;
 }
 
-double manifold_gaussian_bump::gaussian_bump_x2( double x2 )
+
+void manifold_gaussian_bump::lut_get_z_and_zp( double rr, double &zz,
+                                               double &zzp ) const
 {
-	return AA*exp( -x2 / ll2 );
+  double xs   = rr - lut_x0;
+  double xss  = xs / lut_dx;
+  int    bin  = static_cast<int>(xss);
+  double frac = xss - bin;
+  double fmin = 1 - frac;
+
+  double zleft   = lut_z[bin];
+  double zright  = lut_z[bin+1];
+  double zpleft  = lut_zp[bin];
+  double zpright = lut_zp[bin+1];
+
+  zz  =  zleft * fmin +  zright * frac;
+  zzp = zpleft * fmin + zpright * frac;
 }
 
-double manifold_gaussian_bump::gaussian_bump_der( double x )
+
+void manifold_gaussian_bump::test_lut()
 {
-	double x2 = x*x;
-	return gaussian_bump_x2( x2 )*( -x/(ll*ll) );
+  double x[3], nn[3];
+  if( comm->me != 0 ) return;
+
+  FILE *fp = fopen( "test_lut_gaussian.dat", "w" );
+  double dx = 0.1;
+  for( double xx = 0; xx < 20; xx += dx ){
+    x[0] = xx;
+    x[1] = 0.0;
+    x[2] = 0.0;
+    double gg = g( x );
+    n( x, nn );
+    double taper_z;
+    if( xx <= rc1 ){
+	    taper_z = gaussian_bump(xx);
+    }else if( xx < rc2 ){
+	    taper_z = lut_get_z( xx );
+    }else{
+	    taper_z = 0.0;
+    }
+    fprintf( fp, "%g %g %g %g %g\n", xx, gaussian_bump(xx), taper_z,
+             gg, nn[0], nn[1], nn[2] );
+  }
+  fclose(fp);
 }
diff -Naur lammps-23Jun17/src/USER-MANIFOLD/manifold_gaussian_bump.h lammps-6Jul17/src/USER-MANIFOLD/manifold_gaussian_bump.h
--- lammps-23Jun17/src/USER-MANIFOLD/manifold_gaussian_bump.h	2017-06-22 07:57:19.000000000 -0600
+++ lammps-6Jul17/src/USER-MANIFOLD/manifold_gaussian_bump.h	2017-06-30 11:28:55.169850000 -0600
@@ -1,4 +1,4 @@
-/* -*- c++ -*- ----------------------------------------------------------
+/* ----------------------------------------------------------------------
    LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
    http://lammps.sandia.gov, Sandia National Laboratories
    Steve Plimpton, sjplimp@sandia.gov
@@ -50,8 +50,8 @@
   class manifold_gaussian_bump : public manifold {
    public:
     enum { NPARAMS = 4 };
-    manifold_gaussian_bump(class LAMMPS*, int, char **) : manifold(lmp) {}
-    virtual ~manifold_gaussian_bump(){}
+    manifold_gaussian_bump(class LAMMPS*, int, char **);
+    virtual ~manifold_gaussian_bump();
 
     virtual double g( const double * );
     virtual void   n( const double *, double * );
@@ -66,12 +66,29 @@
     virtual void post_param_init();
    private:
     // Some private constants:
-    double aa, bb, cc, dd, AA, ll, ll2, f_at_rc, fp_at_rc;
+    double AA, ll, ll2, f_at_rc, fp_at_rc;
     double rc1, rc2, rc12, rc22, dr, inv_dr;
 
-    double gaussian_bump    ( double );
-    double gaussian_bump_x2 ( double );
-    double gaussian_bump_der( double );
+    // Stuff for the look-up table:
+    double lut_x0, lut_x1;
+    int lut_Nbins;
+    double lut_dx;
+    double *lut_z;
+    double *lut_zp;
+
+    double gaussian_bump    ( double ) const;
+    double gaussian_bump_x2 ( double ) const;
+    double gaussian_bump_der( double ) const;
+
+    void   make_lut();
+    double lut_get_z ( double rr ) const;
+    double lut_get_zp( double rr ) const;
+    void lut_get_z_and_zp( double rr, double &zz, double &zzp ) const;
+
+    void test_lut();
+
+    double taper( double );
+    double taper_der( double );
 
   };
 }
diff -Naur lammps-23Jun17/src/USER-MEAMC/README lammps-6Jul17/src/USER-MEAMC/README
--- lammps-23Jun17/src/USER-MEAMC/README	1969-12-31 17:00:00.000000000 -0700
+++ lammps-6Jul17/src/USER-MEAMC/README	2017-07-03 12:44:11.418454000 -0600
@@ -0,0 +1,26 @@
+This package implements the MEAM/C potential as a LAMMPS pair style.
+
+==============================================================================
+
+This package is a translation of the MEAM package to native C++. See
+that package as well as the Fortran code distributed in lib/meam for
+the original sources and information.
+
+
+Translation by
+ Sebastian Hütter, sebastian.huetter@ovgu.de
+ Institute of Materials and Joining Technology
+ Otto-von-Guericke University Magdeburg, Germany
+
+The original Fortran implementation was created by
+  Greg Wagner (while at Sandia, now at Northwestern U).
+
+==============================================================================
+
+Use "make yes-user-meamc" to enable this package when building LAMMPS.
+
+In your LAMMPS input script, specifiy
+  pair_style meam/c
+to enable the use of this implementation. All parameters, input files and
+outputs are exactly identical to these used with pair_style meam.
+
diff -Naur lammps-23Jun17/src/USER-MEAMC/meam.h lammps-6Jul17/src/USER-MEAMC/meam.h
--- lammps-23Jun17/src/USER-MEAMC/meam.h	1969-12-31 17:00:00.000000000 -0700
+++ lammps-6Jul17/src/USER-MEAMC/meam.h	2017-07-03 12:44:11.418454000 -0600
@@ -0,0 +1,252 @@
+#ifndef LMP_MEAM_H
+#define LMP_MEAM_H
+
+#include "memory.h"
+#include <math.h>
+#include <stdlib.h>
+
+#define maxelt 5
+
+namespace LAMMPS_NS {
+
+typedef enum { FCC, BCC, HCP, DIM, DIA, B1, C11, L12, B2 } lattice_t;
+
+class MEAM
+{
+public:
+  MEAM(Memory* mem);
+  ~MEAM();
+
+private:
+  Memory* memory;
+
+  // cutforce = force cutoff
+  // cutforcesq = force cutoff squared
+
+  double cutforce, cutforcesq;
+
+  // Ec_meam = cohesive energy
+  // re_meam = nearest-neighbor distance
+  // Omega_meam = atomic volume
+  // B_meam = bulk modulus
+  // Z_meam = number of first neighbors for reference structure
+  // ielt_meam = atomic number of element
+  // A_meam = adjustable parameter
+  // alpha_meam = sqrt(9*Omega*B/Ec)
+  // rho0_meam = density scaling parameter
+  // delta_meam = heat of formation for alloys
+  // beta[0-3]_meam = electron density constants
+  // t[0-3]_meam = coefficients on densities in Gamma computation
+  // rho_ref_meam = background density for reference structure
+  // ibar_meam(i) = selection parameter for Gamma function for elt i,
+  // lattce_meam(i,j) = lattce configuration for elt i or alloy (i,j)
+  // neltypes = maximum number of element type defined
+  // eltind = index number of pair (similar to Voigt notation; ij = ji)
+  // phir = pair potential function array
+  // phirar[1-6] = spline coeffs
+  // attrac_meam = attraction parameter in Rose energy
+  // repuls_meam = repulsion parameter in Rose energy
+  // nn2_meam = 1 if second nearest neighbors are to be computed, else 0
+  // zbl_meam = 1 if zbl potential for small r to be use, else 0
+  // emb_lin_neg = 1 if linear embedding function for rhob to be used, else 0
+  // bkgd_dyn = 1 if reference densities follows Dynamo, else 0
+  // Cmin_meam, Cmax_meam = min and max values in screening cutoff
+  // rc_meam = cutoff distance for meam
+  // delr_meam = cutoff region for meam
+  // ebound_meam = factor giving maximum boundary of sceen fcn ellipse
+  // augt1 = flag for whether t1 coefficient should be augmented
+  // ialloy = flag for newer alloy formulation (as in dynamo code)
+  // mix_ref_t = flag to recover "old" way of computing t in reference config
+  // erose_form = selection parameter for form of E_rose function
+  // gsmooth_factor = factor determining length of G smoothing region
+  // vind[23]D = Voight notation index maps for 2 and 3D
+  // v2D,v3D = array of factors to apply for Voight notation
+
+  // nr,dr = pair function discretization parameters
+  // nrar,rdrar = spline coeff array parameters
+
+  double Ec_meam[maxelt][maxelt], re_meam[maxelt][maxelt];
+  double Omega_meam[maxelt], Z_meam[maxelt];
+  double A_meam[maxelt], alpha_meam[maxelt][maxelt], rho0_meam[maxelt];
+  double delta_meam[maxelt][maxelt];
+  double beta0_meam[maxelt], beta1_meam[maxelt];
+  double beta2_meam[maxelt], beta3_meam[maxelt];
+  double t0_meam[maxelt], t1_meam[maxelt];
+  double t2_meam[maxelt], t3_meam[maxelt];
+  double rho_ref_meam[maxelt];
+  int ibar_meam[maxelt], ielt_meam[maxelt];
+  lattice_t lattce_meam[maxelt][maxelt];
+  int nn2_meam[maxelt][maxelt];
+  int zbl_meam[maxelt][maxelt];
+  int eltind[maxelt][maxelt];
+  int neltypes;
+
+  double** phir;
+
+  double **phirar, **phirar1, **phirar2, **phirar3, **phirar4, **phirar5, **phirar6;
+
+  double attrac_meam[maxelt][maxelt], repuls_meam[maxelt][maxelt];
+
+  double Cmin_meam[maxelt][maxelt][maxelt];
+  double Cmax_meam[maxelt][maxelt][maxelt];
+  double rc_meam, delr_meam, ebound_meam[maxelt][maxelt];
+  int augt1, ialloy, mix_ref_t, erose_form;
+  int emb_lin_neg, bkgd_dyn;
+  double gsmooth_factor;
+  int vind2D[3][3], vind3D[3][3][3];
+  int v2D[6], v3D[10];
+
+  int nr, nrar;
+  double dr, rdrar;
+
+public:
+  int nmax;
+  double *rho, *rho0, *rho1, *rho2, *rho3, *frhop;
+  double *gamma, *dgamma1, *dgamma2, *dgamma3, *arho2b;
+  double **arho1, **arho2, **arho3, **arho3b, **t_ave, **tsq_ave;
+
+  int maxneigh;
+  double *scrfcn, *dscrfcn, *fcpair;
+
+protected:
+  // meam_funcs.cpp
+
+  //-----------------------------------------------------------------------------
+  // Cutoff function
+  //
+  static double fcut(const double xi) {
+    double a;
+    if (xi >= 1.0)
+      return 1.0;
+    else if (xi <= 0.0)
+      return 0.0;
+    else {
+      a = 1.0 - xi;
+      a *= a; a *= a;
+      a = 1.0 - a;
+      return a * a;
+    }
+  }
+
+  //-----------------------------------------------------------------------------
+  // Cutoff function and derivative
+  //
+  static double dfcut(const double xi, double& dfc) {
+    double a, a3, a4, a1m4;
+    if (xi >= 1.0) {
+      dfc = 0.0;
+      return 1.0;
+    } else if (xi <= 0.0) {
+      dfc = 0.0;
+      return 0.0;
+    } else {
+      a = 1.0 - xi;
+      a3 = a * a * a;
+      a4 = a * a3;
+      a1m4 = 1.0-a4;
+      
+      dfc = 8 * a1m4 * a3;
+      return a1m4*a1m4;
+    }
+  }
+
+  //-----------------------------------------------------------------------------
+  // Derivative of Cikj w.r.t. rij
+  //     Inputs: rij,rij2,rik2,rjk2
+  //
+  static double dCfunc(const double rij2, const double rik2, const double rjk2) {
+    double rij4, a, asq, b,denom;
+
+    rij4 = rij2 * rij2;
+    a = rik2 - rjk2;
+    b = rik2 + rjk2;
+    asq = a*a;
+    denom = rij4 - asq;
+    denom = denom * denom;
+    return -4 * (-2 * rij2 * asq + rij4 * b + asq * b) / denom;
+  }
+
+  //-----------------------------------------------------------------------------
+  // Derivative of Cikj w.r.t. rik and rjk
+  //     Inputs: rij,rij2,rik2,rjk2
+  //
+  static void dCfunc2(const double rij2, const double rik2, const double rjk2,
+               double& dCikj1, double& dCikj2) {
+    double rij4, rik4, rjk4, a, denom;
+
+    rij4 = rij2 * rij2;
+    rik4 = rik2 * rik2;
+    rjk4 = rjk2 * rjk2;
+    a = rik2 - rjk2;
+    denom = rij4 - a * a;
+    denom = denom * denom;
+    dCikj1 = 4 * rij2 * (rij4 + rik4 + 2 * rik2 * rjk2 - 3 * rjk4 - 2 * rij2 * a) / denom;
+    dCikj2 = 4 * rij2 * (rij4 - 3 * rik4 + 2 * rik2 * rjk2 + rjk4 + 2 * rij2 * a) / denom;
+  }
+
+  double G_gam(const double gamma, const int ibar, int &errorflag) const;
+  double dG_gam(const double gamma, const int ibar, double &dG) const;
+  static double zbl(const double r, const int z1, const int z2);
+  static double erose(const double r, const double re, const double alpha, const double Ec, const double repuls, const double attrac, const int form);
+
+  static void get_shpfcn(const lattice_t latt, double (&s)[3]);
+  static int get_Zij(const lattice_t latt);
+  static int get_Zij2(const lattice_t latt, const double cmin, const double cmax, double &a, double &S);
+protected:
+  void meam_checkindex(int, int, int, int*, int*);
+  void getscreen(int i, double* scrfcn, double* dscrfcn, double* fcpair, double** x, int numneigh,
+                 int* firstneigh, int numneigh_full, int* firstneigh_full, int ntype, int* type, int* fmap);
+  void calc_rho1(int i, int ntype, int* type, int* fmap, double** x, int numneigh, int* firstneigh,
+                 double* scrfcn, double* fcpair);
+
+  void alloyparams();
+  void compute_pair_meam();
+  double phi_meam(double, int, int);
+  void compute_reference_density();
+  void get_tavref(double*, double*, double*, double*, double*, double*, double, double, double, double,
+                  double, double, double, int, int, lattice_t);
+  void get_sijk(double, int, int, int, double*);
+  void get_densref(double, int, int, double*, double*, double*, double*, double*, double*, double*, double*);
+  void interpolate_meam(int);
+  double compute_phi(double, int, int);
+
+public:
+  void meam_setup_global(int nelt, lattice_t* lat, double* z, int* ielement, double* atwt, double* alpha,
+                         double* b0, double* b1, double* b2, double* b3, double* alat, double* esub,
+                         double* asub, double* t0, double* t1, double* t2, double* t3, double* rozero,
+                         int* ibar);
+  void meam_setup_param(int which, double value, int nindex, int* index /*index(3)*/, int* errorflag);
+  void meam_setup_done(double* cutmax);
+  void meam_dens_setup(int atom_nmax, int nall, int n_neigh);
+  void meam_dens_init(int i, int ntype, int* type, int* fmap, double** x, int numneigh, int* firstneigh,
+                      int numneigh_full, int* firstneigh_full, int fnoffset);
+  void meam_dens_final(int nlocal, int eflag_either, int eflag_global, int eflag_atom, double* eng_vdwl,
+                       double* eatom, int ntype, int* type, int* fmap, int& errorflag);
+  void meam_force(int i, int eflag_either, int eflag_global, int eflag_atom, int vflag_atom, double* eng_vdwl,
+                  double* eatom, int ntype, int* type, int* fmap, double** x, int numneigh, int* firstneigh,
+                  int numneigh_full, int* firstneigh_full, int fnoffset, double** f, double** vatom);
+};
+
+// Functions we need for compat
+
+static inline bool iszero(const double f) {
+  return fabs(f) < 1e-20;
+}
+
+template <typename TYPE, size_t maxi, size_t maxj>
+static inline void setall2d(TYPE (&arr)[maxi][maxj], const TYPE v) {
+  for (size_t i = 0; i < maxi; i++)
+    for (size_t j = 0; j < maxj; j++)
+      arr[i][j] = v;
+}
+
+template <typename TYPE, size_t maxi, size_t maxj, size_t maxk>
+static inline void setall3d(TYPE (&arr)[maxi][maxj][maxk], const TYPE v) {
+  for (size_t i = 0; i < maxi; i++)
+    for (size_t j = 0; j < maxj; j++)
+      for (size_t k = 0; k < maxk; k++)
+        arr[i][j][k] = v;
+}
+
+};
+#endif
diff -Naur lammps-23Jun17/src/USER-MEAMC/meam_dens_final.cpp lammps-6Jul17/src/USER-MEAMC/meam_dens_final.cpp
--- lammps-23Jun17/src/USER-MEAMC/meam_dens_final.cpp	1969-12-31 17:00:00.000000000 -0700
+++ lammps-6Jul17/src/USER-MEAMC/meam_dens_final.cpp	2017-07-03 12:44:11.418454000 -0600
@@ -0,0 +1,148 @@
+#include "meam.h"
+#include "math_special.h"
+
+using namespace LAMMPS_NS;
+
+void
+MEAM::meam_dens_final(int nlocal, int eflag_either, int eflag_global, int eflag_atom, double* eng_vdwl,
+                      double* eatom, int ntype, int* type, int* fmap, int& errorflag)
+{
+  int i, elti;
+  int m;
+  double rhob, G, dG, Gbar, dGbar, gam, shp[3], Z;
+  double B, denom, rho_bkgd;
+
+  //     Complete the calculation of density
+
+  for (i = 0; i < nlocal; i++) {
+    elti = fmap[type[i]];
+    if (elti >= 0) {
+      rho1[i] = 0.0;
+      rho2[i] = -1.0 / 3.0 * arho2b[i] * arho2b[i];
+      rho3[i] = 0.0;
+      for (m = 0; m < 3; m++) {
+        rho1[i] = rho1[i] + arho1[i][m] * arho1[i][m];
+        rho3[i] = rho3[i] - 3.0 / 5.0 * arho3b[i][m] * arho3b[i][m];
+      }
+      for (m = 0; m < 6; m++) {
+        rho2[i] = rho2[i] + this->v2D[m] * arho2[i][m] * arho2[i][m];
+      }
+      for (m = 0; m < 10; m++) {
+        rho3[i] = rho3[i] + this->v3D[m] * arho3[i][m] * arho3[i][m];
+      }
+
+      if (rho0[i] > 0.0) {
+        if (this->ialloy == 1) {
+          t_ave[i][0] = t_ave[i][0] / tsq_ave[i][0];
+          t_ave[i][1] = t_ave[i][1] / tsq_ave[i][1];
+          t_ave[i][2] = t_ave[i][2] / tsq_ave[i][2];
+        } else if (this->ialloy == 2) {
+          t_ave[i][0] = this->t1_meam[elti];
+          t_ave[i][1] = this->t2_meam[elti];
+          t_ave[i][2] = this->t3_meam[elti];
+        } else {
+          t_ave[i][0] = t_ave[i][0] / rho0[i];
+          t_ave[i][1] = t_ave[i][1] / rho0[i];
+          t_ave[i][2] = t_ave[i][2] / rho0[i];
+        }
+      }
+
+      gamma[i] = t_ave[i][0] * rho1[i] + t_ave[i][1] * rho2[i] + t_ave[i][2] * rho3[i];
+
+      if (rho0[i] > 0.0) {
+        gamma[i] = gamma[i] / (rho0[i] * rho0[i]);
+      }
+
+      Z = this->Z_meam[elti];
+
+      G = G_gam(gamma[i], this->ibar_meam[elti], errorflag);
+      if (errorflag != 0)
+        return;
+      get_shpfcn(this->lattce_meam[elti][elti], shp);
+      if (this->ibar_meam[elti] <= 0) {
+        Gbar = 1.0;
+        dGbar = 0.0;
+      } else {
+        if (this->mix_ref_t == 1) {
+          gam = (t_ave[i][0] * shp[0] + t_ave[i][1] * shp[1] + t_ave[i][2] * shp[2]) / (Z * Z);
+        } else {
+          gam = (this->t1_meam[elti] * shp[0] + this->t2_meam[elti] * shp[1] + this->t3_meam[elti] * shp[2]) /
+                (Z * Z);
+        }
+        Gbar = G_gam(gam, this->ibar_meam[elti], errorflag);
+      }
+      rho[i] = rho0[i] * G;
+
+      if (this->mix_ref_t == 1) {
+        if (this->ibar_meam[elti] <= 0) {
+          Gbar = 1.0;
+          dGbar = 0.0;
+        } else {
+          gam = (t_ave[i][0] * shp[0] + t_ave[i][1] * shp[1] + t_ave[i][2] * shp[2]) / (Z * Z);
+          Gbar = dG_gam(gam, this->ibar_meam[elti], dGbar);
+        }
+        rho_bkgd = this->rho0_meam[elti] * Z * Gbar;
+      } else {
+        if (this->bkgd_dyn == 1) {
+          rho_bkgd = this->rho0_meam[elti] * Z;
+        } else {
+          rho_bkgd = this->rho_ref_meam[elti];
+        }
+      }
+      rhob = rho[i] / rho_bkgd;
+      denom = 1.0 / rho_bkgd;
+
+      G = dG_gam(gamma[i], this->ibar_meam[elti], dG);
+
+      dgamma1[i] = (G - 2 * dG * gamma[i]) * denom;
+
+      if (!iszero(rho0[i])) {
+        dgamma2[i] = (dG / rho0[i]) * denom;
+      } else {
+        dgamma2[i] = 0.0;
+      }
+
+      //     dgamma3 is nonzero only if we are using the "mixed" rule for
+      //     computing t in the reference system (which is not correct, but
+      //     included for backward compatibility
+      if (this->mix_ref_t == 1) {
+        dgamma3[i] = rho0[i] * G * dGbar / (Gbar * Z * Z) * denom;
+      } else {
+        dgamma3[i] = 0.0;
+      }
+
+      B = this->A_meam[elti] * this->Ec_meam[elti][elti];
+
+      if (!iszero(rhob)) {
+        if (this->emb_lin_neg == 1 && rhob <= 0) {
+          frhop[i] = -B;
+        } else {
+          frhop[i] = B * (log(rhob) + 1.0);
+        }
+        if (eflag_either != 0) {
+          if (eflag_global != 0) {
+            if (this->emb_lin_neg == 1 && rhob <= 0) {
+              *eng_vdwl = *eng_vdwl - B * rhob;
+            } else {
+              *eng_vdwl = *eng_vdwl + B * rhob * log(rhob);
+            }
+          }
+          if (eflag_atom != 0) {
+            if (this->emb_lin_neg == 1 && rhob <= 0) {
+              eatom[i] = eatom[i] - B * rhob;
+            } else {
+              eatom[i] = eatom[i] + B * rhob * log(rhob);
+            }
+          }
+        }
+      } else {
+        if (this->emb_lin_neg == 1) {
+          frhop[i] = -B;
+        } else {
+          frhop[i] = B;
+        }
+      }
+    }
+  }
+}
+
diff -Naur lammps-23Jun17/src/USER-MEAMC/meam_dens_init.cpp lammps-6Jul17/src/USER-MEAMC/meam_dens_init.cpp
--- lammps-23Jun17/src/USER-MEAMC/meam_dens_init.cpp	1969-12-31 17:00:00.000000000 -0700
+++ lammps-6Jul17/src/USER-MEAMC/meam_dens_init.cpp	2017-07-03 12:44:11.418454000 -0600
@@ -0,0 +1,355 @@
+#include "meam.h"
+#include "math_special.h"
+
+using namespace LAMMPS_NS;
+
+void
+MEAM::meam_dens_setup(int atom_nmax, int nall, int n_neigh)
+{
+  int i, j;
+
+  // grow local arrays if necessary
+
+  if (atom_nmax > nmax) {
+    memory->destroy(rho);
+    memory->destroy(rho0);
+    memory->destroy(rho1);
+    memory->destroy(rho2);
+    memory->destroy(rho3);
+    memory->destroy(frhop);
+    memory->destroy(gamma);
+    memory->destroy(dgamma1);
+    memory->destroy(dgamma2);
+    memory->destroy(dgamma3);
+    memory->destroy(arho2b);
+    memory->destroy(arho1);
+    memory->destroy(arho2);
+    memory->destroy(arho3);
+    memory->destroy(arho3b);
+    memory->destroy(t_ave);
+    memory->destroy(tsq_ave);
+
+    nmax = atom_nmax;
+
+    memory->create(rho, nmax, "pair:rho");
+    memory->create(rho0, nmax, "pair:rho0");
+    memory->create(rho1, nmax, "pair:rho1");
+    memory->create(rho2, nmax, "pair:rho2");
+    memory->create(rho3, nmax, "pair:rho3");
+    memory->create(frhop, nmax, "pair:frhop");
+    memory->create(gamma, nmax, "pair:gamma");
+    memory->create(dgamma1, nmax, "pair:dgamma1");
+    memory->create(dgamma2, nmax, "pair:dgamma2");
+    memory->create(dgamma3, nmax, "pair:dgamma3");
+    memory->create(arho2b, nmax, "pair:arho2b");
+    memory->create(arho1, nmax, 3, "pair:arho1");
+    memory->create(arho2, nmax, 6, "pair:arho2");
+    memory->create(arho3, nmax, 10, "pair:arho3");
+    memory->create(arho3b, nmax, 3, "pair:arho3b");
+    memory->create(t_ave, nmax, 3, "pair:t_ave");
+    memory->create(tsq_ave, nmax, 3, "pair:tsq_ave");
+  }
+
+  if (n_neigh > maxneigh) {
+    memory->destroy(scrfcn);
+    memory->destroy(dscrfcn);
+    memory->destroy(fcpair);
+    maxneigh = n_neigh;
+    memory->create(scrfcn, maxneigh, "pair:scrfcn");
+    memory->create(dscrfcn, maxneigh, "pair:dscrfcn");
+    memory->create(fcpair, maxneigh, "pair:fcpair");
+  }
+
+  // zero out local arrays
+
+  for (i = 0; i < nall; i++) {
+    rho0[i] = 0.0;
+    arho2b[i] = 0.0;
+    arho1[i][0] = arho1[i][1] = arho1[i][2] = 0.0;
+    for (j = 0; j < 6; j++)
+      arho2[i][j] = 0.0;
+    for (j = 0; j < 10; j++)
+      arho3[i][j] = 0.0;
+    arho3b[i][0] = arho3b[i][1] = arho3b[i][2] = 0.0;
+    t_ave[i][0] = t_ave[i][1] = t_ave[i][2] = 0.0;
+    tsq_ave[i][0] = tsq_ave[i][1] = tsq_ave[i][2] = 0.0;
+  }
+}
+
+void
+MEAM::meam_dens_init(int i, int ntype, int* type, int* fmap, double** x,
+                     int numneigh, int* firstneigh,
+                     int numneigh_full, int* firstneigh_full, int fnoffset)
+{
+  //     Compute screening function and derivatives
+  getscreen(i, &scrfcn[fnoffset], &dscrfcn[fnoffset], &fcpair[fnoffset], x, numneigh, firstneigh,
+            numneigh_full, firstneigh_full, ntype, type, fmap);
+
+  //     Calculate intermediate density terms to be communicated
+  calc_rho1(i, ntype, type, fmap, x, numneigh, firstneigh, &scrfcn[fnoffset], &fcpair[fnoffset]);
+}
+
+// ccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc
+
+void
+MEAM::getscreen(int i, double* scrfcn, double* dscrfcn, double* fcpair, double** x, int numneigh,
+                int* firstneigh, int numneigh_full, int* firstneigh_full, int ntype, int* type, int* fmap)
+{
+  int jn, j, kn, k;
+  int elti, eltj, eltk;
+  double xitmp, yitmp, zitmp, delxij, delyij, delzij, rij2, rij;
+  double xjtmp, yjtmp, zjtmp, delxik, delyik, delzik, rik2 /*,rik*/;
+  double xktmp, yktmp, zktmp, delxjk, delyjk, delzjk, rjk2 /*,rjk*/;
+  double xik, xjk, sij, fcij, sfcij, dfcij, sikj, dfikj, cikj;
+  double Cmin, Cmax, delc, /*ebound,*/ rbound, a, coef1, coef2;
+  double dCikj;
+  double rnorm, fc, dfc, drinv;
+
+  drinv = 1.0 / this->delr_meam;
+  elti = fmap[type[i]];
+  if (elti < 0) return;
+
+  xitmp = x[i][0];
+  yitmp = x[i][1];
+  zitmp = x[i][2];
+
+  for (jn = 0; jn < numneigh; jn++) {
+    j = firstneigh[jn];
+
+    eltj = fmap[type[j]];
+    if (eltj < 0) continue;
+
+    //     First compute screening function itself, sij
+    xjtmp = x[j][0];
+    yjtmp = x[j][1];
+    zjtmp = x[j][2];
+    delxij = xjtmp - xitmp;
+    delyij = yjtmp - yitmp;
+    delzij = zjtmp - zitmp;
+    rij2 = delxij * delxij + delyij * delyij + delzij * delzij;
+    rij = sqrt(rij2);
+
+    if (rij > this->rc_meam) {
+      fcij = 0.0;
+      dfcij = 0.0;
+      sij = 0.0;
+    } else {
+      rnorm = (this->rc_meam - rij) * drinv;
+      sij = 1.0;
+
+      //     if rjk2 > ebound*rijsq, atom k is definitely outside the ellipse
+      const double rbound = this->ebound_meam[elti][eltj] * rij2;
+      for (kn = 0; kn < numneigh_full; kn++) {
+        k = firstneigh_full[kn];
+        eltk = fmap[type[k]];
+        if (eltk < 0) continue;
+        if (k == j) continue;
+
+        delxjk = x[k][0] - xjtmp;
+        delyjk = x[k][1] - yjtmp;
+        delzjk = x[k][2] - zjtmp;
+        rjk2 = delxjk * delxjk + delyjk * delyjk + delzjk * delzjk;
+        if (rjk2 > rbound) continue;
+
+        delxik = x[k][0] - xitmp;
+        delyik = x[k][1] - yitmp;
+        delzik = x[k][2] - zitmp;
+        rik2 = delxik * delxik + delyik * delyik + delzik * delzik;
+        if (rik2 > rbound) continue;
+
+        xik = rik2 / rij2;
+        xjk = rjk2 / rij2;
+        a = 1 - (xik - xjk) * (xik - xjk);
+        //     if a < 0, then ellipse equation doesn't describe this case and
+        //     atom k can't possibly screen i-j
+        if (a <= 0.0) continue;
+
+        cikj = (2.0 * (xik + xjk) + a - 2.0) / a;
+        Cmax = this->Cmax_meam[elti][eltj][eltk];
+        Cmin = this->Cmin_meam[elti][eltj][eltk];
+        if (cikj >= Cmax) continue;
+        //     note that cikj may be slightly negative (within numerical
+        //     tolerance) if atoms are colinear, so don't reject that case here
+        //     (other negative cikj cases were handled by the test on "a" above)
+        else if (cikj <= Cmin) {
+          sij = 0.0;
+          break;
+        } else {
+          delc = Cmax - Cmin;
+          cikj = (cikj - Cmin) / delc;
+          sikj = fcut(cikj);
+        }
+        sij *= sikj;
+      }
+
+      fc = dfcut(rnorm, dfc);
+      fcij = fc;
+      dfcij = dfc * drinv;
+    }
+
+    //     Now compute derivatives
+    dscrfcn[jn] = 0.0;
+    sfcij = sij * fcij;
+    if (iszero(sfcij) || iszero(sfcij - 1.0))
+      goto LABEL_100;
+
+    rbound = this->ebound_meam[elti][eltj] * rij2;
+    for (kn = 0; kn < numneigh_full; kn++) {
+      k = firstneigh_full[kn];
+      if (k == j) continue;
+      eltk = fmap[type[k]];
+      if (eltk < 0) continue;
+
+      xktmp = x[k][0];
+      yktmp = x[k][1];
+      zktmp = x[k][2];
+      delxjk = xktmp - xjtmp;
+      delyjk = yktmp - yjtmp;
+      delzjk = zktmp - zjtmp;
+      rjk2 = delxjk * delxjk + delyjk * delyjk + delzjk * delzjk;
+      if (rjk2 > rbound) continue;
+
+      delxik = xktmp - xitmp;
+      delyik = yktmp - yitmp;
+      delzik = zktmp - zitmp;
+      rik2 = delxik * delxik + delyik * delyik + delzik * delzik;
+      if (rik2 > rbound) continue;
+
+      xik = rik2 / rij2;
+      xjk = rjk2 / rij2;
+      a = 1 - (xik - xjk) * (xik - xjk);
+      //     if a < 0, then ellipse equation doesn't describe this case and
+      //     atom k can't possibly screen i-j
+      if (a <= 0.0) continue;
+
+      cikj = (2.0 * (xik + xjk) + a - 2.0) / a;
+      Cmax = this->Cmax_meam[elti][eltj][eltk];
+      Cmin = this->Cmin_meam[elti][eltj][eltk];
+      if (cikj >= Cmax) {
+        continue;
+        //     Note that cikj may be slightly negative (within numerical
+        //     tolerance) if atoms are colinear, so don't reject that case
+        //     here
+        //     (other negative cikj cases were handled by the test on "a"
+        //     above)
+        //     Note that we never have 0<cikj<Cmin here, else sij=0
+        //     (rejected above)
+      } else {
+        delc = Cmax - Cmin;
+        cikj = (cikj - Cmin) / delc;
+        sikj = dfcut(cikj, dfikj);
+        coef1 = dfikj / (delc * sikj);
+        dCikj = dCfunc(rij2, rik2, rjk2);
+        dscrfcn[jn] = dscrfcn[jn] + coef1 * dCikj;
+      }
+    }
+    coef1 = sfcij;
+    coef2 = sij * dfcij / rij;
+    dscrfcn[jn] = dscrfcn[jn] * coef1 - coef2;
+
+    LABEL_100:
+    scrfcn[jn] = sij;
+    fcpair[jn] = fcij;
+  }
+}
+
+// ccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc
+
+void
+MEAM::calc_rho1(int i, int ntype, int* type, int* fmap, double** x, int numneigh, int* firstneigh,
+                double* scrfcn, double* fcpair)
+{
+  int jn, j, m, n, p, elti, eltj;
+  int nv2, nv3;
+  double xtmp, ytmp, ztmp, delij[3], rij2, rij, sij;
+  double ai, aj, rhoa0j, rhoa1j, rhoa2j, rhoa3j, A1j, A2j, A3j;
+  // double G,Gbar,gam,shp[3+1];
+  double ro0i, ro0j;
+  double rhoa0i, rhoa1i, rhoa2i, rhoa3i, A1i, A2i, A3i;
+
+  elti = fmap[type[i]];
+  xtmp = x[i][0];
+  ytmp = x[i][1];
+  ztmp = x[i][2];
+  for (jn = 0; jn < numneigh; jn++) {
+    if (!iszero(scrfcn[jn])) {
+      j = firstneigh[jn];
+      sij = scrfcn[jn] * fcpair[jn];
+      delij[0] = x[j][0] - xtmp;
+      delij[1] = x[j][1] - ytmp;
+      delij[2] = x[j][2] - ztmp;
+      rij2 = delij[0] * delij[0] + delij[1] * delij[1] + delij[2] * delij[2];
+      if (rij2 < this->cutforcesq) {
+        eltj = fmap[type[j]];
+        rij = sqrt(rij2);
+        ai = rij / this->re_meam[elti][elti] - 1.0;
+        aj = rij / this->re_meam[eltj][eltj] - 1.0;
+        ro0i = this->rho0_meam[elti];
+        ro0j = this->rho0_meam[eltj];
+        rhoa0j = ro0j * MathSpecial::fm_exp(-this->beta0_meam[eltj] * aj) * sij;
+        rhoa1j = ro0j * MathSpecial::fm_exp(-this->beta1_meam[eltj] * aj) * sij;
+        rhoa2j = ro0j * MathSpecial::fm_exp(-this->beta2_meam[eltj] * aj) * sij;
+        rhoa3j = ro0j * MathSpecial::fm_exp(-this->beta3_meam[eltj] * aj) * sij;
+        rhoa0i = ro0i * MathSpecial::fm_exp(-this->beta0_meam[elti] * ai) * sij;
+        rhoa1i = ro0i * MathSpecial::fm_exp(-this->beta1_meam[elti] * ai) * sij;
+        rhoa2i = ro0i * MathSpecial::fm_exp(-this->beta2_meam[elti] * ai) * sij;
+        rhoa3i = ro0i * MathSpecial::fm_exp(-this->beta3_meam[elti] * ai) * sij;
+        if (this->ialloy == 1) {
+          rhoa1j = rhoa1j * this->t1_meam[eltj];
+          rhoa2j = rhoa2j * this->t2_meam[eltj];
+          rhoa3j = rhoa3j * this->t3_meam[eltj];
+          rhoa1i = rhoa1i * this->t1_meam[elti];
+          rhoa2i = rhoa2i * this->t2_meam[elti];
+          rhoa3i = rhoa3i * this->t3_meam[elti];
+        }
+        rho0[i] = rho0[i] + rhoa0j;
+        rho0[j] = rho0[j] + rhoa0i;
+        // For ialloy = 2, use single-element value (not average)
+        if (this->ialloy != 2) {
+          t_ave[i][0] = t_ave[i][0] + this->t1_meam[eltj] * rhoa0j;
+          t_ave[i][1] = t_ave[i][1] + this->t2_meam[eltj] * rhoa0j;
+          t_ave[i][2] = t_ave[i][2] + this->t3_meam[eltj] * rhoa0j;
+          t_ave[j][0] = t_ave[j][0] + this->t1_meam[elti] * rhoa0i;
+          t_ave[j][1] = t_ave[j][1] + this->t2_meam[elti] * rhoa0i;
+          t_ave[j][2] = t_ave[j][2] + this->t3_meam[elti] * rhoa0i;
+        }
+        if (this->ialloy == 1) {
+          tsq_ave[i][0] = tsq_ave[i][0] + this->t1_meam[eltj] * this->t1_meam[eltj] * rhoa0j;
+          tsq_ave[i][1] = tsq_ave[i][1] + this->t2_meam[eltj] * this->t2_meam[eltj] * rhoa0j;
+          tsq_ave[i][2] = tsq_ave[i][2] + this->t3_meam[eltj] * this->t3_meam[eltj] * rhoa0j;
+          tsq_ave[j][0] = tsq_ave[j][0] + this->t1_meam[elti] * this->t1_meam[elti] * rhoa0i;
+          tsq_ave[j][1] = tsq_ave[j][1] + this->t2_meam[elti] * this->t2_meam[elti] * rhoa0i;
+          tsq_ave[j][2] = tsq_ave[j][2] + this->t3_meam[elti] * this->t3_meam[elti] * rhoa0i;
+        }
+        arho2b[i] = arho2b[i] + rhoa2j;
+        arho2b[j] = arho2b[j] + rhoa2i;
+
+        A1j = rhoa1j / rij;
+        A2j = rhoa2j / rij2;
+        A3j = rhoa3j / (rij2 * rij);
+        A1i = rhoa1i / rij;
+        A2i = rhoa2i / rij2;
+        A3i = rhoa3i / (rij2 * rij);
+        nv2 = 0;
+        nv3 = 0;
+        for (m = 0; m < 3; m++) {
+          arho1[i][m] = arho1[i][m] + A1j * delij[m];
+          arho1[j][m] = arho1[j][m] - A1i * delij[m];
+          arho3b[i][m] = arho3b[i][m] + rhoa3j * delij[m] / rij;
+          arho3b[j][m] = arho3b[j][m] - rhoa3i * delij[m] / rij;
+          for (n = m; n < 3; n++) {
+            arho2[i][nv2] = arho2[i][nv2] + A2j * delij[m] * delij[n];
+            arho2[j][nv2] = arho2[j][nv2] + A2i * delij[m] * delij[n];
+            nv2 = nv2 + 1;
+            for (p = n; p < 3; p++) {
+              arho3[i][nv3] = arho3[i][nv3] + A3j * delij[m] * delij[n] * delij[p];
+              arho3[j][nv3] = arho3[j][nv3] - A3i * delij[m] * delij[n] * delij[p];
+              nv3 = nv3 + 1;
+            }
+          }
+        }
+      }
+    }
+  }
+}
+
diff -Naur lammps-23Jun17/src/USER-MEAMC/meam_force.cpp lammps-6Jul17/src/USER-MEAMC/meam_force.cpp
--- lammps-23Jun17/src/USER-MEAMC/meam_force.cpp	1969-12-31 17:00:00.000000000 -0700
+++ lammps-6Jul17/src/USER-MEAMC/meam_force.cpp	2017-07-03 12:44:11.418454000 -0600
@@ -0,0 +1,531 @@
+#include "meam.h"
+#include "math_special.h"
+#include <algorithm>
+
+using namespace LAMMPS_NS;
+
+
+void
+MEAM::meam_force(int i, int eflag_either, int eflag_global, int eflag_atom, int vflag_atom, double* eng_vdwl,
+                 double* eatom, int ntype, int* type, int* fmap, double** x, int numneigh, int* firstneigh,
+                 int numneigh_full, int* firstneigh_full, int fnoffset, double** f, double** vatom)
+{
+  int j, jn, k, kn, kk, m, n, p, q;
+  int nv2, nv3, elti, eltj, eltk, ind;
+  double xitmp, yitmp, zitmp, delij[3], rij2, rij, rij3;
+  double v[6], fi[3], fj[3];
+  double third, sixth;
+  double pp, dUdrij, dUdsij, dUdrijm[3], force, forcem;
+  double r, recip, phi, phip;
+  double sij;
+  double a1, a1i, a1j, a2, a2i, a2j;
+  double a3i, a3j;
+  double shpi[3], shpj[3];
+  double ai, aj, ro0i, ro0j, invrei, invrej;
+  double rhoa0j, drhoa0j, rhoa0i, drhoa0i;
+  double rhoa1j, drhoa1j, rhoa1i, drhoa1i;
+  double rhoa2j, drhoa2j, rhoa2i, drhoa2i;
+  double a3, a3a, rhoa3j, drhoa3j, rhoa3i, drhoa3i;
+  double drho0dr1, drho0dr2, drho0ds1, drho0ds2;
+  double drho1dr1, drho1dr2, drho1ds1, drho1ds2;
+  double drho1drm1[3], drho1drm2[3];
+  double drho2dr1, drho2dr2, drho2ds1, drho2ds2;
+  double drho2drm1[3], drho2drm2[3];
+  double drho3dr1, drho3dr2, drho3ds1, drho3ds2;
+  double drho3drm1[3], drho3drm2[3];
+  double dt1dr1, dt1dr2, dt1ds1, dt1ds2;
+  double dt2dr1, dt2dr2, dt2ds1, dt2ds2;
+  double dt3dr1, dt3dr2, dt3ds1, dt3ds2;
+  double drhodr1, drhodr2, drhods1, drhods2, drhodrm1[3], drhodrm2[3];
+  double arg;
+  double arg1i1, arg1j1, arg1i2, arg1j2, arg1i3, arg1j3, arg3i3, arg3j3;
+  double dsij1, dsij2, force1, force2;
+  double t1i, t2i, t3i, t1j, t2j, t3j;
+
+  third = 1.0 / 3.0;
+  sixth = 1.0 / 6.0;
+
+  //     Compute forces atom i
+
+  elti = fmap[type[i]];
+  if (elti < 0) return;
+
+  xitmp = x[i][0];
+  yitmp = x[i][1];
+  zitmp = x[i][2];
+
+  //     Treat each pair
+  for (jn = 0; jn < numneigh; jn++) {
+    j = firstneigh[jn];
+    eltj = fmap[type[j]];
+
+    if (!iszero(scrfcn[fnoffset + jn]) && eltj >= 0) {
+
+      sij = scrfcn[fnoffset + jn] * fcpair[fnoffset + jn];
+      delij[0] = x[j][0] - xitmp;
+      delij[1] = x[j][1] - yitmp;
+      delij[2] = x[j][2] - zitmp;
+      rij2 = delij[0] * delij[0] + delij[1] * delij[1] + delij[2] * delij[2];
+      if (rij2 < this->cutforcesq) {
+        rij = sqrt(rij2);
+        r = rij;
+
+        //     Compute phi and phip
+        ind = this->eltind[elti][eltj];
+        pp = rij * this->rdrar;
+        kk = (int)pp;
+        kk = std::min(kk, this->nrar - 2);
+        pp = pp - kk;
+        pp = std::min(pp, 1.0);
+        phi = ((this->phirar3[ind][kk] * pp + this->phirar2[ind][kk]) * pp + this->phirar1[ind][kk]) * pp +
+          this->phirar[ind][kk];
+        phip = (this->phirar6[ind][kk] * pp + this->phirar5[ind][kk]) * pp + this->phirar4[ind][kk];
+        recip = 1.0 / r;
+
+        if (eflag_either != 0) {
+          if (eflag_global != 0)
+            *eng_vdwl = *eng_vdwl + phi * sij;
+          if (eflag_atom != 0) {
+            eatom[i] = eatom[i] + 0.5 * phi * sij;
+            eatom[j] = eatom[j] + 0.5 * phi * sij;
+          }
+        }
+
+        //     write(1,*) "force_meamf: phi: ",phi
+        //     write(1,*) "force_meamf: phip: ",phip
+
+        //     Compute pair densities and derivatives
+        invrei = 1.0 / this->re_meam[elti][elti];
+        ai = rij * invrei - 1.0;
+        ro0i = this->rho0_meam[elti];
+        rhoa0i = ro0i * MathSpecial::fm_exp(-this->beta0_meam[elti] * ai);
+        drhoa0i = -this->beta0_meam[elti] * invrei * rhoa0i;
+        rhoa1i = ro0i * MathSpecial::fm_exp(-this->beta1_meam[elti] * ai);
+        drhoa1i = -this->beta1_meam[elti] * invrei * rhoa1i;
+        rhoa2i = ro0i * MathSpecial::fm_exp(-this->beta2_meam[elti] * ai);
+        drhoa2i = -this->beta2_meam[elti] * invrei * rhoa2i;
+        rhoa3i = ro0i * MathSpecial::fm_exp(-this->beta3_meam[elti] * ai);
+        drhoa3i = -this->beta3_meam[elti] * invrei * rhoa3i;
+
+        if (elti != eltj) {
+          invrej = 1.0 / this->re_meam[eltj][eltj];
+          aj = rij * invrej - 1.0;
+          ro0j = this->rho0_meam[eltj];
+          rhoa0j = ro0j * MathSpecial::fm_exp(-this->beta0_meam[eltj] * aj);
+          drhoa0j = -this->beta0_meam[eltj] * invrej * rhoa0j;
+          rhoa1j = ro0j * MathSpecial::fm_exp(-this->beta1_meam[eltj] * aj);
+          drhoa1j = -this->beta1_meam[eltj] * invrej * rhoa1j;
+          rhoa2j = ro0j * MathSpecial::fm_exp(-this->beta2_meam[eltj] * aj);
+          drhoa2j = -this->beta2_meam[eltj] * invrej * rhoa2j;
+          rhoa3j = ro0j * MathSpecial::fm_exp(-this->beta3_meam[eltj] * aj);
+          drhoa3j = -this->beta3_meam[eltj] * invrej * rhoa3j;
+        } else {
+          rhoa0j = rhoa0i;
+          drhoa0j = drhoa0i;
+          rhoa1j = rhoa1i;
+          drhoa1j = drhoa1i;
+          rhoa2j = rhoa2i;
+          drhoa2j = drhoa2i;
+          rhoa3j = rhoa3i;
+          drhoa3j = drhoa3i;
+        }
+
+        const double t1mi = this->t1_meam[elti];
+        const double t2mi = this->t2_meam[elti];
+        const double t3mi = this->t3_meam[elti];
+        const double t1mj = this->t1_meam[eltj];
+        const double t2mj = this->t2_meam[eltj];
+        const double t3mj = this->t3_meam[eltj];
+
+        if (this->ialloy == 1) {
+          rhoa1j  *= t1mj;
+          rhoa2j  *= t2mj;
+          rhoa3j  *= t3mj;
+          rhoa1i  *= t1mi;
+          rhoa2i  *= t2mi;
+          rhoa3i  *= t3mi;
+          drhoa1j *= t1mj;
+          drhoa2j *= t2mj;
+          drhoa3j *= t3mj;
+          drhoa1i *= t1mi;
+          drhoa2i *= t2mi;
+          drhoa3i *= t3mi;
+        }
+
+        nv2 = 0;
+        nv3 = 0;
+        arg1i1 = 0.0;
+        arg1j1 = 0.0;
+        arg1i2 = 0.0;
+        arg1j2 = 0.0;
+        arg1i3 = 0.0;
+        arg1j3 = 0.0;
+        arg3i3 = 0.0;
+        arg3j3 = 0.0;
+        for (n = 0; n < 3; n++) {
+          for (p = n; p < 3; p++) {
+            for (q = p; q < 3; q++) {
+              arg = delij[n] * delij[p] * delij[q] * this->v3D[nv3];
+              arg1i3 = arg1i3 + arho3[i][nv3] * arg;
+              arg1j3 = arg1j3 - arho3[j][nv3] * arg;
+              nv3 = nv3 + 1;
+            }
+            arg = delij[n] * delij[p] * this->v2D[nv2];
+            arg1i2 = arg1i2 + arho2[i][nv2] * arg;
+            arg1j2 = arg1j2 + arho2[j][nv2] * arg;
+            nv2 = nv2 + 1;
+          }
+          arg1i1 = arg1i1 + arho1[i][n] * delij[n];
+          arg1j1 = arg1j1 - arho1[j][n] * delij[n];
+          arg3i3 = arg3i3 + arho3b[i][n] * delij[n];
+          arg3j3 = arg3j3 - arho3b[j][n] * delij[n];
+        }
+
+        //     rho0 terms
+        drho0dr1 = drhoa0j * sij;
+        drho0dr2 = drhoa0i * sij;
+
+        //     rho1 terms
+        a1 = 2 * sij / rij;
+        drho1dr1 = a1 * (drhoa1j - rhoa1j / rij) * arg1i1;
+        drho1dr2 = a1 * (drhoa1i - rhoa1i / rij) * arg1j1;
+        a1 = 2.0 * sij / rij;
+        for (m = 0; m < 3; m++) {
+          drho1drm1[m] = a1 * rhoa1j * arho1[i][m];
+          drho1drm2[m] = -a1 * rhoa1i * arho1[j][m];
+        }
+
+        //     rho2 terms
+        a2 = 2 * sij / rij2;
+        drho2dr1 = a2 * (drhoa2j - 2 * rhoa2j / rij) * arg1i2 - 2.0 / 3.0 * arho2b[i] * drhoa2j * sij;
+        drho2dr2 = a2 * (drhoa2i - 2 * rhoa2i / rij) * arg1j2 - 2.0 / 3.0 * arho2b[j] * drhoa2i * sij;
+        a2 = 4 * sij / rij2;
+        for (m = 0; m < 3; m++) {
+          drho2drm1[m] = 0.0;
+          drho2drm2[m] = 0.0;
+          for (n = 0; n < 3; n++) {
+            drho2drm1[m] = drho2drm1[m] + arho2[i][this->vind2D[m][n]] * delij[n];
+            drho2drm2[m] = drho2drm2[m] - arho2[j][this->vind2D[m][n]] * delij[n];
+          }
+          drho2drm1[m] = a2 * rhoa2j * drho2drm1[m];
+          drho2drm2[m] = -a2 * rhoa2i * drho2drm2[m];
+        }
+
+        //     rho3 terms
+        rij3 = rij * rij2;
+        a3 = 2 * sij / rij3;
+        a3a = 6.0 / 5.0 * sij / rij;
+        drho3dr1 = a3 * (drhoa3j - 3 * rhoa3j / rij) * arg1i3 - a3a * (drhoa3j - rhoa3j / rij) * arg3i3;
+        drho3dr2 = a3 * (drhoa3i - 3 * rhoa3i / rij) * arg1j3 - a3a * (drhoa3i - rhoa3i / rij) * arg3j3;
+        a3 = 6 * sij / rij3;
+        a3a = 6 * sij / (5 * rij);
+        for (m = 0; m < 3; m++) {
+          drho3drm1[m] = 0.0;
+          drho3drm2[m] = 0.0;
+          nv2 = 0;
+          for (n = 0; n < 3; n++) {
+            for (p = n; p < 3; p++) {
+              arg = delij[n] * delij[p] * this->v2D[nv2];
+              drho3drm1[m] = drho3drm1[m] + arho3[i][this->vind3D[m][n][p]] * arg;
+              drho3drm2[m] = drho3drm2[m] + arho3[j][this->vind3D[m][n][p]] * arg;
+              nv2 = nv2 + 1;
+            }
+          }
+          drho3drm1[m] = (a3 * drho3drm1[m] - a3a * arho3b[i][m]) * rhoa3j;
+          drho3drm2[m] = (-a3 * drho3drm2[m] + a3a * arho3b[j][m]) * rhoa3i;
+        }
+
+        //     Compute derivatives of weighting functions t wrt rij
+        t1i = t_ave[i][0];
+        t2i = t_ave[i][1];
+        t3i = t_ave[i][2];
+        t1j = t_ave[j][0];
+        t2j = t_ave[j][1];
+        t3j = t_ave[j][2];
+
+        if (this->ialloy == 1) {
+
+          a1i = 0.0;
+          a1j = 0.0;
+          a2i = 0.0;
+          a2j = 0.0;
+          a3i = 0.0;
+          a3j = 0.0;
+          if (!iszero(tsq_ave[i][0]))
+            a1i = drhoa0j * sij / tsq_ave[i][0];
+          if (!iszero(tsq_ave[j][0]))
+            a1j = drhoa0i * sij / tsq_ave[j][0];
+          if (!iszero(tsq_ave[i][1]))
+            a2i = drhoa0j * sij / tsq_ave[i][1];
+          if (!iszero(tsq_ave[j][1]))
+            a2j = drhoa0i * sij / tsq_ave[j][1];
+          if (!iszero(tsq_ave[i][2]))
+            a3i = drhoa0j * sij / tsq_ave[i][2];
+          if (!iszero(tsq_ave[j][2]))
+            a3j = drhoa0i * sij / tsq_ave[j][2];
+
+          dt1dr1 = a1i * (t1mj - t1i * t1mj*t1mj);
+          dt1dr2 = a1j * (t1mi - t1j * t1mi*t1mi);
+          dt2dr1 = a2i * (t2mj - t2i * t2mj*t2mj);
+          dt2dr2 = a2j * (t2mi - t2j * t2mi*t2mi);
+          dt3dr1 = a3i * (t3mj - t3i * t3mj*t3mj);
+          dt3dr2 = a3j * (t3mi - t3j * t3mi*t3mi);
+
+        } else if (this->ialloy == 2) {
+
+          dt1dr1 = 0.0;
+          dt1dr2 = 0.0;
+          dt2dr1 = 0.0;
+          dt2dr2 = 0.0;
+          dt3dr1 = 0.0;
+          dt3dr2 = 0.0;
+
+        } else {
+
+          ai = 0.0;
+          if (!iszero(rho0[i]))
+            ai = drhoa0j * sij / rho0[i];
+          aj = 0.0;
+          if (!iszero(rho0[j]))
+            aj = drhoa0i * sij / rho0[j];
+
+          dt1dr1 = ai * (t1mj - t1i);
+          dt1dr2 = aj * (t1mi - t1j);
+          dt2dr1 = ai * (t2mj - t2i);
+          dt2dr2 = aj * (t2mi - t2j);
+          dt3dr1 = ai * (t3mj - t3i);
+          dt3dr2 = aj * (t3mi - t3j);
+        }
+
+        //     Compute derivatives of total density wrt rij, sij and rij(3)
+        get_shpfcn(this->lattce_meam[elti][elti], shpi);
+        get_shpfcn(this->lattce_meam[eltj][eltj], shpj);
+        drhodr1 = dgamma1[i] * drho0dr1 +
+          dgamma2[i] * (dt1dr1 * rho1[i] + t1i * drho1dr1 + dt2dr1 * rho2[i] + t2i * drho2dr1 +
+                        dt3dr1 * rho3[i] + t3i * drho3dr1) -
+          dgamma3[i] * (shpi[0] * dt1dr1 + shpi[1] * dt2dr1 + shpi[2] * dt3dr1);
+        drhodr2 = dgamma1[j] * drho0dr2 +
+          dgamma2[j] * (dt1dr2 * rho1[j] + t1j * drho1dr2 + dt2dr2 * rho2[j] + t2j * drho2dr2 +
+                        dt3dr2 * rho3[j] + t3j * drho3dr2) -
+          dgamma3[j] * (shpj[0] * dt1dr2 + shpj[1] * dt2dr2 + shpj[2] * dt3dr2);
+        for (m = 0; m < 3; m++) {
+          drhodrm1[m] = 0.0;
+          drhodrm2[m] = 0.0;
+          drhodrm1[m] = dgamma2[i] * (t1i * drho1drm1[m] + t2i * drho2drm1[m] + t3i * drho3drm1[m]);
+          drhodrm2[m] = dgamma2[j] * (t1j * drho1drm2[m] + t2j * drho2drm2[m] + t3j * drho3drm2[m]);
+        }
+
+        //     Compute derivatives wrt sij, but only if necessary
+        if (!iszero(dscrfcn[fnoffset + jn])) {
+          drho0ds1 = rhoa0j;
+          drho0ds2 = rhoa0i;
+          a1 = 2.0 / rij;
+          drho1ds1 = a1 * rhoa1j * arg1i1;
+          drho1ds2 = a1 * rhoa1i * arg1j1;
+          a2 = 2.0 / rij2;
+          drho2ds1 = a2 * rhoa2j * arg1i2 - 2.0 / 3.0 * arho2b[i] * rhoa2j;
+          drho2ds2 = a2 * rhoa2i * arg1j2 - 2.0 / 3.0 * arho2b[j] * rhoa2i;
+          a3 = 2.0 / rij3;
+          a3a = 6.0 / (5.0 * rij);
+          drho3ds1 = a3 * rhoa3j * arg1i3 - a3a * rhoa3j * arg3i3;
+          drho3ds2 = a3 * rhoa3i * arg1j3 - a3a * rhoa3i * arg3j3;
+
+          if (this->ialloy == 1) {
+
+            a1i = 0.0;
+            a1j = 0.0;
+            a2i = 0.0;
+            a2j = 0.0;
+            a3i = 0.0;
+            a3j = 0.0;
+            if (!iszero(tsq_ave[i][0]))
+              a1i = rhoa0j / tsq_ave[i][0];
+            if (!iszero(tsq_ave[j][0]))
+              a1j = rhoa0i / tsq_ave[j][0];
+            if (!iszero(tsq_ave[i][1]))
+              a2i = rhoa0j / tsq_ave[i][1];
+            if (!iszero(tsq_ave[j][1]))
+              a2j = rhoa0i / tsq_ave[j][1];
+            if (!iszero(tsq_ave[i][2]))
+              a3i = rhoa0j / tsq_ave[i][2];
+            if (!iszero(tsq_ave[j][2]))
+              a3j = rhoa0i / tsq_ave[j][2];
+
+            dt1ds1 = a1i * (t1mj - t1i * pow(t1mj, 2));
+            dt1ds2 = a1j * (t1mi - t1j * pow(t1mi, 2));
+            dt2ds1 = a2i * (t2mj - t2i * pow(t2mj, 2));
+            dt2ds2 = a2j * (t2mi - t2j * pow(t2mi, 2));
+            dt3ds1 = a3i * (t3mj - t3i * pow(t3mj, 2));
+            dt3ds2 = a3j * (t3mi - t3j * pow(t3mi, 2));
+
+          } else if (this->ialloy == 2) {
+
+            dt1ds1 = 0.0;
+            dt1ds2 = 0.0;
+            dt2ds1 = 0.0;
+            dt2ds2 = 0.0;
+            dt3ds1 = 0.0;
+            dt3ds2 = 0.0;
+
+          } else {
+
+            ai = 0.0;
+            if (!iszero(rho0[i]))
+              ai = rhoa0j / rho0[i];
+            aj = 0.0;
+            if (!iszero(rho0[j]))
+              aj = rhoa0i / rho0[j];
+
+            dt1ds1 = ai * (t1mj - t1i);
+            dt1ds2 = aj * (t1mi - t1j);
+            dt2ds1 = ai * (t2mj - t2i);
+            dt2ds2 = aj * (t2mi - t2j);
+            dt3ds1 = ai * (t3mj - t3i);
+            dt3ds2 = aj * (t3mi - t3j);
+          }
+
+          drhods1 = dgamma1[i] * drho0ds1 +
+            dgamma2[i] * (dt1ds1 * rho1[i] + t1i * drho1ds1 + dt2ds1 * rho2[i] + t2i * drho2ds1 +
+                          dt3ds1 * rho3[i] + t3i * drho3ds1) -
+            dgamma3[i] * (shpi[0] * dt1ds1 + shpi[1] * dt2ds1 + shpi[2] * dt3ds1);
+          drhods2 = dgamma1[j] * drho0ds2 +
+            dgamma2[j] * (dt1ds2 * rho1[j] + t1j * drho1ds2 + dt2ds2 * rho2[j] + t2j * drho2ds2 +
+                          dt3ds2 * rho3[j] + t3j * drho3ds2) -
+            dgamma3[j] * (shpj[0] * dt1ds2 + shpj[1] * dt2ds2 + shpj[2] * dt3ds2);
+        }
+
+        //     Compute derivatives of energy wrt rij, sij and rij[3]
+        dUdrij = phip * sij + frhop[i] * drhodr1 + frhop[j] * drhodr2;
+        dUdsij = 0.0;
+        if (!iszero(dscrfcn[fnoffset + jn])) {
+          dUdsij = phi + frhop[i] * drhods1 + frhop[j] * drhods2;
+        }
+        for (m = 0; m < 3; m++) {
+          dUdrijm[m] = frhop[i] * drhodrm1[m] + frhop[j] * drhodrm2[m];
+        }
+
+        //     Add the part of the force due to dUdrij and dUdsij
+
+        force = dUdrij * recip + dUdsij * dscrfcn[fnoffset + jn];
+        for (m = 0; m < 3; m++) {
+          forcem = delij[m] * force + dUdrijm[m];
+          f[i][m] = f[i][m] + forcem;
+          f[j][m] = f[j][m] - forcem;
+        }
+
+        //     Tabulate per-atom virial as symmetrized stress tensor
+
+        if (vflag_atom != 0) {
+          fi[0] = delij[0] * force + dUdrijm[0];
+          fi[1] = delij[1] * force + dUdrijm[1];
+          fi[2] = delij[2] * force + dUdrijm[2];
+          v[0] = -0.5 * (delij[0] * fi[0]);
+          v[1] = -0.5 * (delij[1] * fi[1]);
+          v[2] = -0.5 * (delij[2] * fi[2]);
+          v[3] = -0.25 * (delij[0] * fi[1] + delij[1] * fi[0]);
+          v[4] = -0.25 * (delij[0] * fi[2] + delij[2] * fi[0]);
+          v[5] = -0.25 * (delij[1] * fi[2] + delij[2] * fi[1]);
+
+          for (m = 0; m < 6; m++) {
+            vatom[i][m] = vatom[i][m] + v[m];
+            vatom[j][m] = vatom[j][m] + v[m];
+          }
+        }
+
+        //     Now compute forces on other atoms k due to change in sij
+
+        if (iszero(sij) || iszero(sij - 1.0)) continue; //: cont jn loop
+
+        double dxik(0), dyik(0), dzik(0);
+        double dxjk(0), dyjk(0), dzjk(0);
+
+        for (kn = 0; kn < numneigh_full; kn++) {
+          k = firstneigh_full[kn];
+          eltk = fmap[type[k]];
+          if (k != j && eltk >= 0) {
+            double xik, xjk, cikj, sikj, dfc, a;
+            double dCikj1, dCikj2;
+            double delc, rik2, rjk2;
+
+            sij = scrfcn[jn+fnoffset] * fcpair[jn+fnoffset];
+            const double Cmax = this->Cmax_meam[elti][eltj][eltk];
+            const double Cmin = this->Cmin_meam[elti][eltj][eltk];
+
+            dsij1 = 0.0;
+            dsij2 = 0.0;
+            if (!iszero(sij) && !iszero(sij - 1.0)) {
+              const double rbound = rij2 * this->ebound_meam[elti][eltj];
+              delc = Cmax - Cmin;
+              dxjk = x[k][0] - x[j][0];
+              dyjk = x[k][1] - x[j][1];
+              dzjk = x[k][2] - x[j][2];
+              rjk2 = dxjk * dxjk + dyjk * dyjk + dzjk * dzjk;
+              if (rjk2 <= rbound) {
+                dxik = x[k][0] - x[i][0];
+                dyik = x[k][1] - x[i][1];
+                dzik = x[k][2] - x[i][2];
+                rik2 = dxik * dxik + dyik * dyik + dzik * dzik;
+                if (rik2 <= rbound) {
+                  xik = rik2 / rij2;
+                  xjk = rjk2 / rij2;
+                  a = 1 - (xik - xjk) * (xik - xjk);
+                  if (!iszero(a)) {
+                    cikj = (2.0 * (xik + xjk) + a - 2.0) / a;
+                    if (cikj >= Cmin && cikj <= Cmax) {
+                      cikj = (cikj - Cmin) / delc;
+                      sikj = dfcut(cikj, dfc);
+                      dCfunc2(rij2, rik2, rjk2, dCikj1, dCikj2);
+                      a = sij / delc * dfc / sikj;
+                      dsij1 = a * dCikj1;
+                      dsij2 = a * dCikj2;
+                    }
+                  }
+                }
+              }
+            }
+
+            if (!iszero(dsij1) || !iszero(dsij2)) {
+              force1 = dUdsij * dsij1;
+              force2 = dUdsij * dsij2;
+
+              f[i][0] += force1 * dxik;
+              f[i][1] += force1 * dyik;
+              f[i][2] += force1 * dzik;
+              f[j][0] += force2 * dxjk;
+              f[j][1] += force2 * dyjk;
+              f[j][2] += force2 * dzjk;
+              f[k][0] -= force1 * dxik + force2 * dxjk;
+              f[k][1] -= force1 * dyik + force2 * dyjk;
+              f[k][2] -= force1 * dzik + force2 * dzjk;
+
+              //     Tabulate per-atom virial as symmetrized stress tensor
+
+              if (vflag_atom != 0) {
+                fi[0] = force1 * dxik;
+                fi[1] = force1 * dyik;
+                fi[2] = force1 * dzik;
+                fj[0] = force2 * dxjk;
+                fj[1] = force2 * dyjk;
+                fj[2] = force2 * dzjk;
+                v[0] = -third * (dxik * fi[0] + dxjk * fj[0]);
+                v[1] = -third * (dyik * fi[1] + dyjk * fj[1]);
+                v[2] = -third * (dzik * fi[2] + dzjk * fj[2]);
+                v[3] = -sixth * (dxik * fi[1] + dxjk * fj[1] + dyik * fi[0] + dyjk * fj[0]);
+                v[4] = -sixth * (dxik * fi[2] + dxjk * fj[2] + dzik * fi[0] + dzjk * fj[0]);
+                v[5] = -sixth * (dyik * fi[2] + dyjk * fj[2] + dzik * fi[1] + dzjk * fj[1]);
+
+                for (m = 0; m < 6; m++) {
+                  vatom[i][m] = vatom[i][m] + v[m];
+                  vatom[j][m] = vatom[j][m] + v[m];
+                  vatom[k][m] = vatom[k][m] + v[m];
+                }
+              }
+            }
+          }
+          //     end of k loop
+        }
+      }
+    }
+    //     end of j loop
+  }
+}
diff -Naur lammps-23Jun17/src/USER-MEAMC/meam_funcs.cpp lammps-6Jul17/src/USER-MEAMC/meam_funcs.cpp
--- lammps-23Jun17/src/USER-MEAMC/meam_funcs.cpp	1969-12-31 17:00:00.000000000 -0700
+++ lammps-6Jul17/src/USER-MEAMC/meam_funcs.cpp	2017-07-03 12:44:11.418454000 -0600
@@ -0,0 +1,321 @@
+/* ----------------------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+/* ----------------------------------------------------------------------
+   Contributing author: Sebastian Hütter (OvGU)
+------------------------------------------------------------------------- */
+
+#include "meam.h"
+#include "math_special.h"
+#include <math.h>
+
+using namespace LAMMPS_NS;
+
+
+//-----------------------------------------------------------------------------
+// Compute G(gamma) based on selection flag ibar:
+//   0 => G = sqrt(1+gamma)
+//   1 => G = exp(gamma/2)
+//   2 => not implemented
+//   3 => G = 2/(1+exp(-gamma))
+//   4 => G = sqrt(1+gamma)
+//  -5 => G = +-sqrt(abs(1+gamma))
+//
+double
+MEAM::G_gam(const double gamma, const int ibar, int& errorflag) const
+{
+  double gsmooth_switchpoint;
+
+  switch (ibar) {
+    case 0:
+    case 4:
+      gsmooth_switchpoint = -gsmooth_factor / (gsmooth_factor + 1);
+      if (gamma < gsmooth_switchpoint) {
+        //         e.g. gsmooth_factor is 99, {:
+        //         gsmooth_switchpoint = -0.99
+        //         G = 0.01*(-0.99/gamma)**99
+        double G = 1 / (gsmooth_factor + 1) * pow((gsmooth_switchpoint / gamma), gsmooth_factor);
+        return sqrt(G);
+      } else {
+        return sqrt(1.0 + gamma);
+      }
+    case 1:
+      return MathSpecial::fm_exp(gamma / 2.0);
+    case 3:
+      return 2.0 / (1.0 + exp(-gamma));
+    case -5:
+      if ((1.0 + gamma) >= 0) {
+        return sqrt(1.0 + gamma);
+      } else {
+        return -sqrt(-1.0 - gamma);
+      }
+  }
+  errorflag = 1;
+  return 0.0;
+}
+
+//-----------------------------------------------------------------------------
+// Compute G(gamma and dG(gamma) based on selection flag ibar:
+//   0 => G = sqrt(1+gamma)
+//   1 => G = exp(gamma/2)
+//   2 => not implemented
+//   3 => G = 2/(1+exp(-gamma))
+//   4 => G = sqrt(1+gamma)
+//  -5 => G = +-sqrt(abs(1+gamma))
+//
+double
+MEAM::dG_gam(const double gamma, const int ibar, double& dG) const
+{
+  double gsmooth_switchpoint;
+  double G;
+
+  switch (ibar) {
+    case 0:
+    case 4:
+      gsmooth_switchpoint = -gsmooth_factor / (gsmooth_factor + 1);
+      if (gamma < gsmooth_switchpoint) {
+        //         e.g. gsmooth_factor is 99, {:
+        //         gsmooth_switchpoint = -0.99
+        //         G = 0.01*(-0.99/gamma)**99
+        double G = 1 / (gsmooth_factor + 1) * pow((gsmooth_switchpoint / gamma), gsmooth_factor);
+        G = sqrt(G);
+        dG = -gsmooth_factor * G / (2.0 * gamma);
+        return G;
+      } else {
+        G = sqrt(1.0 + gamma);
+        dG = 1.0 / (2.0 * G);
+        return G;
+      }
+    case 1:
+      G = MathSpecial::fm_exp(gamma / 2.0);
+      dG = G / 2.0;
+      return G;
+    case 3:
+      G = 2.0 / (1.0 + MathSpecial::fm_exp(-gamma));
+      dG = G * (2.0 - G) / 2;
+      return G;
+    case -5:
+      if ((1.0 + gamma) >= 0) {
+        G = sqrt(1.0 + gamma);
+        dG = 1.0 / (2.0 * G);
+        return G;
+      } else {
+        G = -sqrt(-1.0 - gamma);
+        dG = -1.0 / (2.0 * G);
+        return G;
+      }
+  }
+  dG = 1.0;
+  return 0.0;
+}
+
+//-----------------------------------------------------------------------------
+// Compute ZBL potential
+//
+double
+MEAM::zbl(const double r, const int z1, const int z2)
+{
+  int i;
+  const double c[] = { 0.028171, 0.28022, 0.50986, 0.18175 };
+  const double d[] = { 0.20162, 0.40290, 0.94229, 3.1998 };
+  const double azero = 0.4685;
+  const double cc = 14.3997;
+  double a, x;
+  // azero = (9pi^2/128)^1/3 (0.529) Angstroms
+  a = azero / (pow(z1, 0.23) + pow(z2, 0.23));
+  double result = 0.0;
+  x = r / a;
+  for (i = 0; i <= 3; i++) {
+    result = result + c[i] * MathSpecial::fm_exp(-d[i] * x);
+  }
+  if (r > 0.0)
+    result = result * z1 * z2 / r * cc;
+  return result;
+}
+
+//-----------------------------------------------------------------------------
+// Compute Rose energy function, I.16
+//
+double
+MEAM::erose(const double r, const double re, const double alpha, const double Ec, const double repuls,
+            const double attrac, const int form)
+{
+  double astar, a3;
+  double result = 0.0;
+
+  if (r > 0.0) {
+    astar = alpha * (r / re - 1.0);
+    a3 = 0.0;
+    if (astar >= 0)
+      a3 = attrac;
+    else if (astar < 0)
+      a3 = repuls;
+
+    if (form == 1)
+      result = -Ec * (1 + astar + (-attrac + repuls / r) * pow(astar, 3)) * MathSpecial::fm_exp(-astar);
+    else if (form == 2)
+      result = -Ec * (1 + astar + a3 * pow(astar, 3)) * MathSpecial::fm_exp(-astar);
+    else
+      result = -Ec * (1 + astar + a3 * pow(astar, 3) / (r / re)) * MathSpecial::fm_exp(-astar);
+  }
+  return result;
+}
+
+//-----------------------------------------------------------------------------
+// Shape factors for various configurations
+//
+void
+MEAM::get_shpfcn(const lattice_t latt, double (&s)[3])
+{
+  switch (latt) {
+    case FCC:
+    case BCC:
+    case B1:
+    case B2:
+      s[0] = 0.0;
+      s[1] = 0.0;
+      s[2] = 0.0;
+      break;
+    case HCP:
+      s[0] = 0.0;
+      s[1] = 0.0;
+      s[2] = 1.0 / 3.0;
+      break;
+    case DIA:
+      s[0] = 0.0;
+      s[1] = 0.0;
+      s[2] = 32.0 / 9.0;
+      break;
+    case DIM:
+      s[0] = 1.0;
+      s[1] = 2.0 / 3.0;
+      //        s(3) = 1.d0
+      s[2] = 0.40;
+      break;
+    default:
+      s[0] = 0.0;
+      //        call error('Lattice not defined in get_shpfcn.')
+  }
+}
+
+//-----------------------------------------------------------------------------
+// Number of neighbors for the reference structure
+//
+int
+MEAM::get_Zij(const lattice_t latt)
+{
+  switch (latt) {
+    case FCC:
+      return 12;
+    case BCC:
+      return 8;
+    case HCP:
+      return 12;
+    case B1:
+      return 6;
+    case DIA:
+      return 4;
+    case DIM:
+      return 1;
+    case C11:
+      return 10;
+    case L12:
+      return 12;
+    case B2:
+      return 8;
+      //        call error('Lattice not defined in get_Zij.')
+  }
+  return 0;
+}
+
+//-----------------------------------------------------------------------------
+// Number of second neighbors for the reference structure
+//   a = distance ratio R1/R2
+//   S = second neighbor screening function
+//
+int
+MEAM::get_Zij2(const lattice_t latt, const double cmin, const double cmax, double& a, double& S)
+{
+
+  double C, x, sijk;
+  int Zij2 = 0, numscr = 0;
+
+  switch (latt) {
+
+  case FCC:
+    Zij2 = 6;
+    a = sqrt(2.0);
+    numscr = 4;
+    break;
+
+  case BCC:
+    Zij2 = 6;
+    a = 2.0 / sqrt(3.0);
+    numscr = 4;
+    break;
+
+  case HCP:
+    Zij2 = 6;
+    a = sqrt(2.0);
+    numscr = 4;
+    break;
+
+  case B1:
+    Zij2 = 12;
+    a = sqrt(2.0);
+    numscr = 2;
+    break;
+
+  case DIA:
+    Zij2 = 0;
+    a = sqrt(8.0 / 3.0);
+    numscr = 4;
+    if (cmin < 0.500001) {
+        //          call error('can not do 2NN MEAM for dia')
+    }
+    break;
+
+  case DIM:
+    //        this really shouldn't be allowed; make sure screening is zero
+    a = 1.0;
+    S = 0.0;
+    return 0;
+
+  case L12:
+    Zij2 = 6;
+    a = sqrt(2.0);
+    numscr = 4;
+    break;
+
+  case B2:
+    Zij2 = 6;
+    a = 2.0 / sqrt(3.0);
+    numscr = 4;
+    break;
+  case C11:
+    // unsupported lattice flag C11 in get_Zij
+    break;
+  default:
+    // unknown lattic flag in get Zij
+    //        call error('Lattice not defined in get_Zij.')
+    break;
+  }
+
+  // Compute screening for each first neighbor
+  C = 4.0 / (a * a) - 1.0;
+  x = (C - cmin) / (cmax - cmin);
+  sijk = fcut(x);
+  // There are numscr first neighbors screening the second neighbors
+  S = MathSpecial::powint(sijk, numscr);
+  return Zij2;
+}
diff -Naur lammps-23Jun17/src/USER-MEAMC/meam_impl.cpp lammps-6Jul17/src/USER-MEAMC/meam_impl.cpp
--- lammps-23Jun17/src/USER-MEAMC/meam_impl.cpp	1969-12-31 17:00:00.000000000 -0700
+++ lammps-6Jul17/src/USER-MEAMC/meam_impl.cpp	2017-07-03 12:44:11.418454000 -0600
@@ -0,0 +1,72 @@
+/* ----------------------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+/* ----------------------------------------------------------------------
+   Contributing author: Sebastian Hütter (OvGU)
+------------------------------------------------------------------------- */
+
+#include "meam.h"
+#include "memory.h"
+
+using namespace LAMMPS_NS;
+
+/* ---------------------------------------------------------------------- */
+
+MEAM::MEAM(Memory* mem)
+  : memory(mem)
+{
+  phir = phirar = phirar1 = phirar2 = phirar3 = phirar4 = phirar5 = phirar6 = NULL;
+
+  nmax = 0;
+  rho = rho0 = rho1 = rho2 = rho3 = frhop = NULL;
+  gamma = dgamma1 = dgamma2 = dgamma3 = arho2b = NULL;
+  arho1 = arho2 = arho3 = arho3b = t_ave = tsq_ave = NULL;
+
+  maxneigh = 0;
+  scrfcn = dscrfcn = fcpair = NULL;
+}
+
+MEAM::~MEAM()
+{
+  memory->destroy(this->phirar6);
+  memory->destroy(this->phirar5);
+  memory->destroy(this->phirar4);
+  memory->destroy(this->phirar3);
+  memory->destroy(this->phirar2);
+  memory->destroy(this->phirar1);
+  memory->destroy(this->phirar);
+  memory->destroy(this->phir);
+
+  memory->destroy(this->rho);
+  memory->destroy(this->rho0);
+  memory->destroy(this->rho1);
+  memory->destroy(this->rho2);
+  memory->destroy(this->rho3);
+  memory->destroy(this->frhop);
+  memory->destroy(this->gamma);
+  memory->destroy(this->dgamma1);
+  memory->destroy(this->dgamma2);
+  memory->destroy(this->dgamma3);
+  memory->destroy(this->arho2b);
+
+  memory->destroy(this->arho1);
+  memory->destroy(this->arho2);
+  memory->destroy(this->arho3);
+  memory->destroy(this->arho3b);
+  memory->destroy(this->t_ave);
+  memory->destroy(this->tsq_ave);
+
+  memory->destroy(this->scrfcn);
+  memory->destroy(this->dscrfcn);
+  memory->destroy(this->fcpair);
+}
diff -Naur lammps-23Jun17/src/USER-MEAMC/meam_setup_done.cpp lammps-6Jul17/src/USER-MEAMC/meam_setup_done.cpp
--- lammps-23Jun17/src/USER-MEAMC/meam_setup_done.cpp	1969-12-31 17:00:00.000000000 -0700
+++ lammps-6Jul17/src/USER-MEAMC/meam_setup_done.cpp	2017-07-03 12:44:11.418454000 -0600
@@ -0,0 +1,792 @@
+#include "meam.h"
+#include "math_special.h"
+#include <algorithm>
+using namespace LAMMPS_NS;
+
+void
+MEAM::meam_setup_done(double* cutmax)
+{
+  int nv2, nv3, m, n, p;
+
+  //     Force cutoff
+  this->cutforce = this->rc_meam;
+  this->cutforcesq = this->cutforce * this->cutforce;
+
+  //     Pass cutoff back to calling program
+  *cutmax = this->cutforce;
+
+  //     Augment t1 term
+  for (int i = 0; i < maxelt; i++)
+    this->t1_meam[i] = this->t1_meam[i] + this->augt1 * 3.0 / 5.0 * this->t3_meam[i];
+
+  //     Compute off-diagonal alloy parameters
+  alloyparams();
+
+  // indices and factors for Voight notation
+  nv2 = 0;
+  nv3 = 0;
+  for (m = 0; m < 3; m++) {
+    for (n = m; n < 3; n++) {
+      this->vind2D[m][n] = nv2;
+      this->vind2D[n][m] = nv2;
+      nv2 = nv2 + 1;
+      for (p = n; p < 3; p++) {
+        this->vind3D[m][n][p] = nv3;
+        this->vind3D[m][p][n] = nv3;
+        this->vind3D[n][m][p] = nv3;
+        this->vind3D[n][p][m] = nv3;
+        this->vind3D[p][m][n] = nv3;
+        this->vind3D[p][n][m] = nv3;
+        nv3 = nv3 + 1;
+      }
+    }
+  }
+
+  this->v2D[0] = 1;
+  this->v2D[1] = 2;
+  this->v2D[2] = 2;
+  this->v2D[3] = 1;
+  this->v2D[4] = 2;
+  this->v2D[5] = 1;
+
+  this->v3D[0] = 1;
+  this->v3D[1] = 3;
+  this->v3D[2] = 3;
+  this->v3D[3] = 3;
+  this->v3D[4] = 6;
+  this->v3D[5] = 3;
+  this->v3D[6] = 1;
+  this->v3D[7] = 3;
+  this->v3D[8] = 3;
+  this->v3D[9] = 1;
+
+  nv2 = 0;
+  for (m = 0; m < this->neltypes; m++) {
+    for (n = m; n < this->neltypes; n++) {
+      this->eltind[m][n] = nv2;
+      this->eltind[n][m] = nv2;
+      nv2 = nv2 + 1;
+    }
+  }
+
+  //     Compute background densities for reference structure
+  compute_reference_density();
+
+  //     Compute pair potentials and setup arrays for interpolation
+  this->nr = 1000;
+  this->dr = 1.1 * this->rc_meam / this->nr;
+  compute_pair_meam();
+}
+
+// ccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccccc
+// Fill off-diagonal alloy parameters
+void
+MEAM::alloyparams(void)
+{
+
+  int i, j, k;
+  double eb;
+
+  // Loop over pairs
+  for (i = 0; i < this->neltypes; i++) {
+    for (j = 0; j < this->neltypes; j++) {
+      // Treat off-diagonal pairs
+      // If i>j, set all equal to i<j case (which has aready been set,
+      // here or in the input file)
+      if (i > j) {
+        this->re_meam[i][j] = this->re_meam[j][i];
+        this->Ec_meam[i][j] = this->Ec_meam[j][i];
+        this->alpha_meam[i][j] = this->alpha_meam[j][i];
+        this->lattce_meam[i][j] = this->lattce_meam[j][i];
+        this->nn2_meam[i][j] = this->nn2_meam[j][i];
+        // If i<j and term is unset, use default values (e.g. mean of i-i and
+        // j-j)
+      } else if (j > i) {
+        if (iszero(this->Ec_meam[i][j])) {
+          if (this->lattce_meam[i][j] == L12)
+            this->Ec_meam[i][j] =
+              (3 * this->Ec_meam[i][i] + this->Ec_meam[j][j]) / 4.0 - this->delta_meam[i][j];
+          else if (this->lattce_meam[i][j] == C11) {
+            if (this->lattce_meam[i][i] == DIA)
+              this->Ec_meam[i][j] =
+                (2 * this->Ec_meam[i][i] + this->Ec_meam[j][j]) / 3.0 - this->delta_meam[i][j];
+            else
+              this->Ec_meam[i][j] =
+                (this->Ec_meam[i][i] + 2 * this->Ec_meam[j][j]) / 3.0 - this->delta_meam[i][j];
+          } else
+            this->Ec_meam[i][j] = (this->Ec_meam[i][i] + this->Ec_meam[j][j]) / 2.0 - this->delta_meam[i][j];
+        }
+        if (iszero(this->alpha_meam[i][j]))
+          this->alpha_meam[i][j] = (this->alpha_meam[i][i] + this->alpha_meam[j][j]) / 2.0;
+        if (iszero(this->re_meam[i][j]))
+          this->re_meam[i][j] = (this->re_meam[i][i] + this->re_meam[j][j]) / 2.0;
+      }
+    }
+  }
+
+  // Cmin[i][k][j] is symmetric in i-j, but not k.  For all triplets
+  // where i>j, set equal to the i<j element.  Likewise for Cmax.
+  for (i = 1; i < this->neltypes; i++) {
+    for (j = 0; j < i; j++) {
+      for (k = 0; k < this->neltypes; k++) {
+        this->Cmin_meam[i][j][k] = this->Cmin_meam[j][i][k];
+        this->Cmax_meam[i][j][k] = this->Cmax_meam[j][i][k];
+      }
+    }
+  }
+
+  // ebound gives the squared distance such that, for rik2 or rjk2>ebound,
+  // atom k definitely lies outside the screening function ellipse (so
+  // there is no need to calculate its effects).  Here, compute it for all
+  // triplets [i][j][k] so that ebound[i][j] is the maximized over k
+  for (i = 0; i < this->neltypes; i++) {
+    for (j = 0; j < this->neltypes; j++) {
+      for (k = 0; k < this->neltypes; k++) {
+        eb = (this->Cmax_meam[i][j][k] * this->Cmax_meam[i][j][k]) / (4.0 * (this->Cmax_meam[i][j][k] - 1.0));
+        this->ebound_meam[i][j] = std::max(this->ebound_meam[i][j], eb);
+      }
+    }
+  }
+}
+
+//-----------------------------------------------------------------------
+// compute MEAM pair potential for each pair of element types
+//
+
+void
+MEAM::compute_pair_meam(void)
+{
+
+  double r /*ununsed:, temp*/;
+  int j, a, b, nv2;
+  double astar, frac, phizbl;
+  int n, nmax, Z1, Z2;
+  double arat, rarat, scrn, scrn2;
+  double phiaa, phibb /*unused:,phitmp*/;
+  double C, s111, s112, s221, S11, S22;
+
+  // check for previously allocated arrays and free them
+  if (this->phir != NULL)
+    memory->destroy(this->phir);
+  if (this->phirar != NULL)
+    memory->destroy(this->phirar);
+  if (this->phirar1 != NULL)
+    memory->destroy(this->phirar1);
+  if (this->phirar2 != NULL)
+    memory->destroy(this->phirar2);
+  if (this->phirar3 != NULL)
+    memory->destroy(this->phirar3);
+  if (this->phirar4 != NULL)
+    memory->destroy(this->phirar4);
+  if (this->phirar5 != NULL)
+    memory->destroy(this->phirar5);
+  if (this->phirar6 != NULL)
+    memory->destroy(this->phirar6);
+
+  // allocate memory for array that defines the potential
+  memory->create(this->phir, (this->neltypes * (this->neltypes + 1)) / 2, this->nr, "pair:phir");
+
+  // allocate coeff memory
+
+  memory->create(this->phirar, (this->neltypes * (this->neltypes + 1)) / 2, this->nr, "pair:phirar");
+  memory->create(this->phirar1, (this->neltypes * (this->neltypes + 1)) / 2, this->nr, "pair:phirar1");
+  memory->create(this->phirar2, (this->neltypes * (this->neltypes + 1)) / 2, this->nr, "pair:phirar2");
+  memory->create(this->phirar3, (this->neltypes * (this->neltypes + 1)) / 2, this->nr, "pair:phirar3");
+  memory->create(this->phirar4, (this->neltypes * (this->neltypes + 1)) / 2, this->nr, "pair:phirar4");
+  memory->create(this->phirar5, (this->neltypes * (this->neltypes + 1)) / 2, this->nr, "pair:phirar5");
+  memory->create(this->phirar6, (this->neltypes * (this->neltypes + 1)) / 2, this->nr, "pair:phirar6");
+
+  // loop over pairs of element types
+  nv2 = 0;
+  for (a = 0; a < this->neltypes; a++) {
+    for (b = a; b < this->neltypes; b++) {
+      // loop over r values and compute
+      for (j = 0; j < this->nr; j++) {
+        r = j * this->dr;
+
+        this->phir[nv2][j] = phi_meam(r, a, b);
+
+        // if using second-nearest neighbor, solve recursive problem
+        // (see Lee and Baskes, PRB 62(13):8564 eqn.(21))
+        if (this->nn2_meam[a][b] == 1) {
+          Z1 = get_Zij(this->lattce_meam[a][b]);
+          Z2 = get_Zij2(this->lattce_meam[a][b], this->Cmin_meam[a][a][b],
+                   this->Cmax_meam[a][a][b], arat, scrn);
+
+          //     The B1, B2,  and L12 cases with NN2 have a trick to them; we
+          //     need to
+          //     compute the contributions from second nearest neighbors, like
+          //     a-a
+          //     pairs, but need to include NN2 contributions to those pairs as
+          //     well.
+          if (this->lattce_meam[a][b] == B1 || this->lattce_meam[a][b] == B2 ||
+              this->lattce_meam[a][b] == L12) {
+            rarat = r * arat;
+
+            //               phi_aa
+            phiaa = phi_meam(rarat, a, a);
+            Z1 = get_Zij(this->lattce_meam[a][a]);
+            Z2 = get_Zij2(this->lattce_meam[a][a], this->Cmin_meam[a][a][a],
+                     this->Cmax_meam[a][a][a], arat, scrn);
+            nmax = 10;
+            if (scrn > 0.0) {
+              for (n = 1; n <= nmax; n++) {
+                phiaa = phiaa + pow((-Z2 * scrn / Z1), n) * phi_meam(rarat * pow(arat, n), a, a);
+              }
+            }
+
+            //               phi_bb
+            phibb = phi_meam(rarat, b, b);
+            Z1 = get_Zij(this->lattce_meam[b][b]);
+            Z2 = get_Zij2(this->lattce_meam[b][b], this->Cmin_meam[b][b][b],
+                     this->Cmax_meam[b][b][b], arat, scrn);
+            nmax = 10;
+            if (scrn > 0.0) {
+              for (n = 1; n <= nmax; n++) {
+                phibb = phibb + pow((-Z2 * scrn / Z1), n) * phi_meam(rarat * pow(arat, n), b, b);
+              }
+            }
+
+            if (this->lattce_meam[a][b] == B1 || this->lattce_meam[a][b] == B2) {
+              //     Add contributions to the B1 or B2 potential
+              Z1 = get_Zij(this->lattce_meam[a][b]);
+              Z2 = get_Zij2(this->lattce_meam[a][b], this->Cmin_meam[a][a][b],
+                       this->Cmax_meam[a][a][b], arat, scrn);
+              this->phir[nv2][j] = this->phir[nv2][j] - Z2 * scrn / (2 * Z1) * phiaa;
+              Z2 = get_Zij2(this->lattce_meam[a][b], this->Cmin_meam[b][b][a],
+                       this->Cmax_meam[b][b][a], arat, scrn2);
+              this->phir[nv2][j] = this->phir[nv2][j] - Z2 * scrn2 / (2 * Z1) * phibb;
+
+            } else if (this->lattce_meam[a][b] == L12) {
+              //     The L12 case has one last trick; we have to be careful to
+              //     compute
+              //     the correct screening between 2nd-neighbor pairs.  1-1
+              //     second-neighbor pairs are screened by 2 type 1 atoms and
+              //     two type
+              //     2 atoms.  2-2 second-neighbor pairs are screened by 4 type
+              //     1
+              //     atoms.
+              C = 1.0;
+              get_sijk(C, a, a, a, &s111);
+              get_sijk(C, a, a, b, &s112);
+              get_sijk(C, b, b, a, &s221);
+              S11 = s111 * s111 * s112 * s112;
+              S22 = pow(s221, 4);
+              this->phir[nv2][j] = this->phir[nv2][j] - 0.75 * S11 * phiaa - 0.25 * S22 * phibb;
+            }
+
+          } else {
+            nmax = 10;
+            for (n = 1; n <= nmax; n++) {
+              this->phir[nv2][j] =
+                this->phir[nv2][j] + pow((-Z2 * scrn / Z1), n) * phi_meam(r * pow(arat, n), a, b);
+            }
+          }
+        }
+
+        // For Zbl potential:
+        // if astar <= -3
+        //   potential is zbl potential
+        // else if -3 < astar < -1
+        //   potential is linear combination with zbl potential
+        // endif
+        if (this->zbl_meam[a][b] == 1) {
+          astar = this->alpha_meam[a][b] * (r / this->re_meam[a][b] - 1.0);
+          if (astar <= -3.0)
+            this->phir[nv2][j] = zbl(r, this->ielt_meam[a], this->ielt_meam[b]);
+          else if (astar > -3.0 && astar < -1.0) {
+            frac = fcut(1 - (astar + 1.0) / (-3.0 + 1.0));
+            phizbl = zbl(r, this->ielt_meam[a], this->ielt_meam[b]);
+            this->phir[nv2][j] = frac * this->phir[nv2][j] + (1 - frac) * phizbl;
+          }
+        }
+      }
+
+      // call interpolation
+      interpolate_meam(nv2);
+
+      nv2 = nv2 + 1;
+    }
+  }
+}
+
+//----------------------------------------------------------------------c
+// Compute MEAM pair potential for distance r, element types a and b
+//
+double
+MEAM::phi_meam(double r, int a, int b)
+{
+  /*unused:double a1,a2,a12;*/
+  double t11av, t21av, t31av, t12av, t22av, t32av;
+  double G1, G2, s1[3], s2[3], rho0_1, rho0_2;
+  double Gam1, Gam2, Z1, Z2;
+  double rhobar1, rhobar2, F1, F2;
+  double rho01, rho11, rho21, rho31;
+  double rho02, rho12, rho22, rho32;
+  double scalfac, phiaa, phibb;
+  double Eu;
+  double arat, scrn /*unused:,scrn2*/;
+  int Z12, errorflag;
+  int n, nmax, Z1nn, Z2nn;
+  lattice_t latta /*unused:,lattb*/;
+  double rho_bkgd1, rho_bkgd2;
+
+  double phi_m = 0.0;
+
+  // Equation numbers below refer to:
+  //   I. Huang et.al., Modelling simul. Mater. Sci. Eng. 3:615
+
+  // get number of neighbors in the reference structure
+  //   Nref[i][j] = # of i's neighbors of type j
+  Z12 = get_Zij(this->lattce_meam[a][b]);
+
+  get_densref(r, a, b, &rho01, &rho11, &rho21, &rho31, &rho02, &rho12, &rho22, &rho32);
+
+  // if densities are too small, numerical problems may result; just return zero
+  if (rho01 <= 1e-14 && rho02 <= 1e-14)
+    return 0.0;
+
+  // calculate average weighting factors for the reference structure
+  if (this->lattce_meam[a][b] == C11) {
+    if (this->ialloy == 2) {
+      t11av = this->t1_meam[a];
+      t12av = this->t1_meam[b];
+      t21av = this->t2_meam[a];
+      t22av = this->t2_meam[b];
+      t31av = this->t3_meam[a];
+      t32av = this->t3_meam[b];
+    } else {
+      scalfac = 1.0 / (rho01 + rho02);
+      t11av = scalfac * (this->t1_meam[a] * rho01 + this->t1_meam[b] * rho02);
+      t12av = t11av;
+      t21av = scalfac * (this->t2_meam[a] * rho01 + this->t2_meam[b] * rho02);
+      t22av = t21av;
+      t31av = scalfac * (this->t3_meam[a] * rho01 + this->t3_meam[b] * rho02);
+      t32av = t31av;
+    }
+  } else {
+    // average weighting factors for the reference structure, eqn. I.8
+    get_tavref(&t11av, &t21av, &t31av, &t12av, &t22av, &t32av, this->t1_meam[a], this->t2_meam[a],
+               this->t3_meam[a], this->t1_meam[b], this->t2_meam[b], this->t3_meam[b], r, a, b,
+               this->lattce_meam[a][b]);
+  }
+
+  // for c11b structure, calculate background electron densities
+  if (this->lattce_meam[a][b] == C11) {
+    latta = this->lattce_meam[a][a];
+    if (latta == DIA) {
+      rhobar1 = pow(((Z12 / 2) * (rho02 + rho01)), 2) + t11av * pow((rho12 - rho11), 2) +
+                t21av / 6.0 * pow(rho22 + rho21, 2) + 121.0 / 40.0 * t31av * pow((rho32 - rho31), 2);
+      rhobar1 = sqrt(rhobar1);
+      rhobar2 = pow(Z12 * rho01, 2) + 2.0 / 3.0 * t21av * pow(rho21, 2);
+      rhobar2 = sqrt(rhobar2);
+    } else {
+      rhobar2 = pow(((Z12 / 2) * (rho01 + rho02)), 2) + t12av * pow((rho11 - rho12), 2) +
+                t22av / 6.0 * pow(rho21 + rho22, 2) + 121.0 / 40.0 * t32av * pow((rho31 - rho32), 2);
+      rhobar2 = sqrt(rhobar2);
+      rhobar1 = pow(Z12 * rho02, 2) + 2.0 / 3.0 * t22av * pow(rho22, 2);
+      rhobar1 = sqrt(rhobar1);
+    }
+  } else {
+    // for other structures, use formalism developed in Huang's paper
+    //
+    //     composition-dependent scaling, equation I.7
+    //     If using mixing rule for t, apply to reference structure; else
+    //     use precomputed values
+    if (this->mix_ref_t == 1) {
+      Z1 = this->Z_meam[a];
+      Z2 = this->Z_meam[b];
+      if (this->ibar_meam[a] <= 0)
+        G1 = 1.0;
+      else {
+        get_shpfcn(this->lattce_meam[a][a], s1);
+        Gam1 = (s1[0] * t11av + s1[1] * t21av + s1[2] * t31av) / (Z1 * Z1);
+        G1 = G_gam(Gam1, this->ibar_meam[a], errorflag);
+      }
+      if (this->ibar_meam[b] <= 0)
+        G2 = 1.0;
+      else {
+        get_shpfcn(this->lattce_meam[b][b], s2);
+        Gam2 = (s2[0] * t12av + s2[1] * t22av + s2[2] * t32av) / (Z2 * Z2);
+        G2 = G_gam(Gam2, this->ibar_meam[b], errorflag);
+      }
+      rho0_1 = this->rho0_meam[a] * Z1 * G1;
+      rho0_2 = this->rho0_meam[b] * Z2 * G2;
+    }
+    Gam1 = (t11av * rho11 + t21av * rho21 + t31av * rho31);
+    if (rho01 < 1.0e-14)
+      Gam1 = 0.0;
+    else
+      Gam1 = Gam1 / (rho01 * rho01);
+
+    Gam2 = (t12av * rho12 + t22av * rho22 + t32av * rho32);
+    if (rho02 < 1.0e-14)
+      Gam2 = 0.0;
+    else
+      Gam2 = Gam2 / (rho02 * rho02);
+
+    G1 = G_gam(Gam1, this->ibar_meam[a], errorflag);
+    G2 = G_gam(Gam2, this->ibar_meam[b], errorflag);
+    if (this->mix_ref_t == 1) {
+      rho_bkgd1 = rho0_1;
+      rho_bkgd2 = rho0_2;
+    } else {
+      if (this->bkgd_dyn == 1) {
+        rho_bkgd1 = this->rho0_meam[a] * this->Z_meam[a];
+        rho_bkgd2 = this->rho0_meam[b] * this->Z_meam[b];
+      } else {
+        rho_bkgd1 = this->rho_ref_meam[a];
+        rho_bkgd2 = this->rho_ref_meam[b];
+      }
+    }
+    rhobar1 = rho01 / rho_bkgd1 * G1;
+    rhobar2 = rho02 / rho_bkgd2 * G2;
+  }
+
+  // compute embedding functions, eqn I.5
+  if (iszero(rhobar1))
+    F1 = 0.0;
+  else {
+    if (this->emb_lin_neg == 1 && rhobar1 <= 0)
+      F1 = -this->A_meam[a] * this->Ec_meam[a][a] * rhobar1;
+    else
+      F1 = this->A_meam[a] * this->Ec_meam[a][a] * rhobar1 * log(rhobar1);
+  }
+  if (iszero(rhobar2))
+    F2 = 0.0;
+  else {
+    if (this->emb_lin_neg == 1 && rhobar2 <= 0)
+      F2 = -this->A_meam[b] * this->Ec_meam[b][b] * rhobar2;
+    else
+      F2 = this->A_meam[b] * this->Ec_meam[b][b] * rhobar2 * log(rhobar2);
+  }
+
+  // compute Rose function, I.16
+  Eu = erose(r, this->re_meam[a][b], this->alpha_meam[a][b], this->Ec_meam[a][b], this->repuls_meam[a][b],
+             this->attrac_meam[a][b], this->erose_form);
+
+  // calculate the pair energy
+  if (this->lattce_meam[a][b] == C11) {
+    latta = this->lattce_meam[a][a];
+    if (latta == DIA) {
+      phiaa = phi_meam(r, a, a);
+      phi_m = (3 * Eu - F2 - 2 * F1 - 5 * phiaa) / Z12;
+    } else {
+      phibb = phi_meam(r, b, b);
+      phi_m = (3 * Eu - F1 - 2 * F2 - 5 * phibb) / Z12;
+    }
+  } else if (this->lattce_meam[a][b] == L12) {
+    phiaa = phi_meam(r, a, a);
+    //       account for second neighbor a-a potential here...
+    Z1nn = get_Zij(this->lattce_meam[a][a]);
+    Z2nn = get_Zij2(this->lattce_meam[a][a], this->Cmin_meam[a][a][a],
+             this->Cmax_meam[a][a][a], arat, scrn);
+    nmax = 10;
+    if (scrn > 0.0) {
+      for (n = 1; n <= nmax; n++) {
+        phiaa = phiaa + pow((-Z2nn * scrn / Z1nn), n) * phi_meam(r * pow(arat, n), a, a);
+      }
+    }
+    phi_m = Eu / 3.0 - F1 / 4.0 - F2 / 12.0 - phiaa;
+
+  } else {
+    //
+    // potential is computed from Rose function and embedding energy
+    phi_m = (2 * Eu - F1 - F2) / Z12;
+    //
+  }
+
+  // if r = 0, just return 0
+  if (iszero(r)) {
+    phi_m = 0.0;
+  }
+
+  return phi_m;
+}
+
+//----------------------------------------------------------------------c
+// Compute background density for reference structure of each element
+void
+MEAM::compute_reference_density(void)
+{
+  int a, Z, Z2, errorflag;
+  double gam, Gbar, shp[3];
+  double rho0, rho0_2nn, arat, scrn;
+
+  // loop over element types
+  for (a = 0; a < this->neltypes; a++) {
+    Z = (int)this->Z_meam[a];
+    if (this->ibar_meam[a] <= 0)
+      Gbar = 1.0;
+    else {
+      get_shpfcn(this->lattce_meam[a][a], shp);
+      gam = (this->t1_meam[a] * shp[0] + this->t2_meam[a] * shp[1] + this->t3_meam[a] * shp[2]) / (Z * Z);
+      Gbar = G_gam(gam, this->ibar_meam[a], errorflag);
+    }
+
+    //     The zeroth order density in the reference structure, with
+    //     equilibrium spacing, is just the number of first neighbors times
+    //     the rho0_meam coefficient...
+    rho0 = this->rho0_meam[a] * Z;
+
+    //     ...unless we have unscreened second neighbors, in which case we
+    //     add on the contribution from those (accounting for partial
+    //     screening)
+    if (this->nn2_meam[a][a] == 1) {
+      Z2 = get_Zij2(this->lattce_meam[a][a], this->Cmin_meam[a][a][a],
+               this->Cmax_meam[a][a][a], arat, scrn);
+      rho0_2nn = this->rho0_meam[a] * MathSpecial::fm_exp(-this->beta0_meam[a] * (arat - 1));
+      rho0 = rho0 + Z2 * rho0_2nn * scrn;
+    }
+
+    this->rho_ref_meam[a] = rho0 * Gbar;
+  }
+}
+
+//------------------------------------------------------------------------------c
+// Average weighting factors for the reference structure
+void
+MEAM::get_tavref(double* t11av, double* t21av, double* t31av, double* t12av, double* t22av, double* t32av,
+                 double t11, double t21, double t31, double t12, double t22, double t32, double r, int a,
+                 int b, lattice_t latt)
+{
+  double rhoa01, rhoa02, a1, a2, rho01 /*,rho02*/;
+
+  //     For ialloy = 2, no averaging is done
+  if (this->ialloy == 2) {
+    *t11av = t11;
+    *t21av = t21;
+    *t31av = t31;
+    *t12av = t12;
+    *t22av = t22;
+    *t32av = t32;
+  } else {
+    if (latt == FCC || latt == BCC || latt == DIA || latt == HCP || latt == B1 || latt == DIM || latt == B2) {
+      //     all neighbors are of the opposite type
+      *t11av = t12;
+      *t21av = t22;
+      *t31av = t32;
+      *t12av = t11;
+      *t22av = t21;
+      *t32av = t31;
+    } else {
+      a1 = r / this->re_meam[a][a] - 1.0;
+      a2 = r / this->re_meam[b][b] - 1.0;
+      rhoa01 = this->rho0_meam[a] * MathSpecial::fm_exp(-this->beta0_meam[a] * a1);
+      rhoa02 = this->rho0_meam[b] * MathSpecial::fm_exp(-this->beta0_meam[b] * a2);
+      if (latt == L12) {
+        rho01 = 8 * rhoa01 + 4 * rhoa02;
+        *t11av = (8 * t11 * rhoa01 + 4 * t12 * rhoa02) / rho01;
+        *t12av = t11;
+        *t21av = (8 * t21 * rhoa01 + 4 * t22 * rhoa02) / rho01;
+        *t22av = t21;
+        *t31av = (8 * t31 * rhoa01 + 4 * t32 * rhoa02) / rho01;
+        *t32av = t31;
+      } else {
+        //      call error('Lattice not defined in get_tavref.')
+      }
+    }
+  }
+}
+
+//------------------------------------------------------------------------------c
+void
+MEAM::get_sijk(double C, int i, int j, int k, double* sijk)
+{
+  double x;
+  x = (C - this->Cmin_meam[i][j][k]) / (this->Cmax_meam[i][j][k] - this->Cmin_meam[i][j][k]);
+  *sijk = fcut(x);
+}
+
+//------------------------------------------------------------------------------c
+// Calculate density functions, assuming reference configuration
+void
+MEAM::get_densref(double r, int a, int b, double* rho01, double* rho11, double* rho21, double* rho31,
+                  double* rho02, double* rho12, double* rho22, double* rho32)
+{
+  double a1, a2;
+  double s[3];
+  lattice_t lat;
+  int Zij2nn;
+  double rhoa01nn, rhoa02nn;
+  double rhoa01, rhoa11, rhoa21, rhoa31;
+  double rhoa02, rhoa12, rhoa22, rhoa32;
+  double arat, scrn, denom;
+  double C, s111, s112, s221, S11, S22;
+
+  a1 = r / this->re_meam[a][a] - 1.0;
+  a2 = r / this->re_meam[b][b] - 1.0;
+
+  rhoa01 = this->rho0_meam[a] * MathSpecial::fm_exp(-this->beta0_meam[a] * a1);
+  rhoa11 = this->rho0_meam[a] * MathSpecial::fm_exp(-this->beta1_meam[a] * a1);
+  rhoa21 = this->rho0_meam[a] * MathSpecial::fm_exp(-this->beta2_meam[a] * a1);
+  rhoa31 = this->rho0_meam[a] * MathSpecial::fm_exp(-this->beta3_meam[a] * a1);
+  rhoa02 = this->rho0_meam[b] * MathSpecial::fm_exp(-this->beta0_meam[b] * a2);
+  rhoa12 = this->rho0_meam[b] * MathSpecial::fm_exp(-this->beta1_meam[b] * a2);
+  rhoa22 = this->rho0_meam[b] * MathSpecial::fm_exp(-this->beta2_meam[b] * a2);
+  rhoa32 = this->rho0_meam[b] * MathSpecial::fm_exp(-this->beta3_meam[b] * a2);
+
+  lat = this->lattce_meam[a][b];
+
+  *rho11 = 0.0;
+  *rho21 = 0.0;
+  *rho31 = 0.0;
+  *rho12 = 0.0;
+  *rho22 = 0.0;
+  *rho32 = 0.0;
+
+  if (lat == FCC) {
+    *rho01 = 12.0 * rhoa02;
+    *rho02 = 12.0 * rhoa01;
+  } else if (lat == BCC) {
+    *rho01 = 8.0 * rhoa02;
+    *rho02 = 8.0 * rhoa01;
+  } else if (lat == B1) {
+    *rho01 = 6.0 * rhoa02;
+    *rho02 = 6.0 * rhoa01;
+  } else if (lat == DIA) {
+    *rho01 = 4.0 * rhoa02;
+    *rho02 = 4.0 * rhoa01;
+    *rho31 = 32.0 / 9.0 * rhoa32 * rhoa32;
+    *rho32 = 32.0 / 9.0 * rhoa31 * rhoa31;
+  } else if (lat == HCP) {
+    *rho01 = 12 * rhoa02;
+    *rho02 = 12 * rhoa01;
+    *rho31 = 1.0 / 3.0 * rhoa32 * rhoa32;
+    *rho32 = 1.0 / 3.0 * rhoa31 * rhoa31;
+  } else if (lat == DIM) {
+    get_shpfcn(DIM, s);
+    *rho01 = rhoa02;
+    *rho02 = rhoa01;
+    *rho11 = s[0] * rhoa12 * rhoa12;
+    *rho12 = s[0] * rhoa11 * rhoa11;
+    *rho21 = s[1] * rhoa22 * rhoa22;
+    *rho22 = s[1] * rhoa21 * rhoa21;
+    *rho31 = s[2] * rhoa32 * rhoa32;
+    *rho32 = s[2] * rhoa31 * rhoa31;
+  } else if (lat == C11) {
+    *rho01 = rhoa01;
+    *rho02 = rhoa02;
+    *rho11 = rhoa11;
+    *rho12 = rhoa12;
+    *rho21 = rhoa21;
+    *rho22 = rhoa22;
+    *rho31 = rhoa31;
+    *rho32 = rhoa32;
+  } else if (lat == L12) {
+    *rho01 = 8 * rhoa01 + 4 * rhoa02;
+    *rho02 = 12 * rhoa01;
+    if (this->ialloy == 1) {
+      *rho21 = 8. / 3. * pow(rhoa21 * this->t2_meam[a] - rhoa22 * this->t2_meam[b], 2);
+      denom = 8 * rhoa01 * pow(this->t2_meam[a], 2) + 4 * rhoa02 * pow(this->t2_meam[b], 2);
+      if (denom > 0.)
+        *rho21 = *rho21 / denom * *rho01;
+    } else
+      *rho21 = 8. / 3. * (rhoa21 - rhoa22) * (rhoa21 - rhoa22);
+  } else if (lat == B2) {
+    *rho01 = 8.0 * rhoa02;
+    *rho02 = 8.0 * rhoa01;
+  } else {
+    //        call error('Lattice not defined in get_densref.')
+  }
+
+  if (this->nn2_meam[a][b] == 1) {
+
+    Zij2nn = get_Zij2(lat, this->Cmin_meam[a][a][b], this->Cmax_meam[a][a][b], arat, scrn);
+
+    a1 = arat * r / this->re_meam[a][a] - 1.0;
+    a2 = arat * r / this->re_meam[b][b] - 1.0;
+
+    rhoa01nn = this->rho0_meam[a] * MathSpecial::fm_exp(-this->beta0_meam[a] * a1);
+    rhoa02nn = this->rho0_meam[b] * MathSpecial::fm_exp(-this->beta0_meam[b] * a2);
+
+    if (lat == L12) {
+      //     As usual, L12 thinks it's special; we need to be careful computing
+      //     the screening functions
+      C = 1.0;
+      get_sijk(C, a, a, a, &s111);
+      get_sijk(C, a, a, b, &s112);
+      get_sijk(C, b, b, a, &s221);
+      S11 = s111 * s111 * s112 * s112;
+      S22 = pow(s221, 4);
+      *rho01 = *rho01 + 6 * S11 * rhoa01nn;
+      *rho02 = *rho02 + 6 * S22 * rhoa02nn;
+
+    } else {
+      //     For other cases, assume that second neighbor is of same type,
+      //     first neighbor may be of different type
+
+      *rho01 = *rho01 + Zij2nn * scrn * rhoa01nn;
+
+      //     Assume Zij2nn and arat don't depend on order, but scrn might
+      Zij2nn = get_Zij2(lat, this->Cmin_meam[b][b][a], this->Cmax_meam[b][b][a], arat, scrn);
+      *rho02 = *rho02 + Zij2nn * scrn * rhoa02nn;
+    }
+  }
+}
+
+
+void
+MEAM::interpolate_meam(int ind)
+{
+  int j;
+  double drar;
+
+  // map to coefficient space
+
+  this->nrar = this->nr;
+  drar = this->dr;
+  this->rdrar = 1.0 / drar;
+
+  // phir interp
+  for (j = 0; j < this->nrar; j++) {
+    this->phirar[ind][j] = this->phir[ind][j];
+  }
+  this->phirar1[ind][0] = this->phirar[ind][1] - this->phirar[ind][0];
+  this->phirar1[ind][1] = 0.5 * (this->phirar[ind][2] - this->phirar[ind][0]);
+  this->phirar1[ind][this->nrar - 2] =
+    0.5 * (this->phirar[ind][this->nrar - 1] - this->phirar[ind][this->nrar - 3]);
+  this->phirar1[ind][this->nrar - 1] = 0.0;
+  for (j = 2; j < this->nrar - 2; j++) {
+    this->phirar1[ind][j] = ((this->phirar[ind][j - 2] - this->phirar[ind][j + 2]) +
+                             8.0 * (this->phirar[ind][j + 1] - this->phirar[ind][j - 1])) /
+                            12.;
+  }
+
+  for (j = 0; j < this->nrar - 1; j++) {
+    this->phirar2[ind][j] = 3.0 * (this->phirar[ind][j + 1] - this->phirar[ind][j]) -
+                            2.0 * this->phirar1[ind][j] - this->phirar1[ind][j + 1];
+    this->phirar3[ind][j] = this->phirar1[ind][j] + this->phirar1[ind][j + 1] -
+                            2.0 * (this->phirar[ind][j + 1] - this->phirar[ind][j]);
+  }
+  this->phirar2[ind][this->nrar - 1] = 0.0;
+  this->phirar3[ind][this->nrar - 1] = 0.0;
+
+  for (j = 0; j < this->nrar; j++) {
+    this->phirar4[ind][j] = this->phirar1[ind][j] / drar;
+    this->phirar5[ind][j] = 2.0 * this->phirar2[ind][j] / drar;
+    this->phirar6[ind][j] = 3.0 * this->phirar3[ind][j] / drar;
+  }
+}
+
+//---------------------------------------------------------------------
+// Compute Rose energy function, I.16
+//
+double
+MEAM::compute_phi(double rij, int elti, int eltj)
+{
+  double pp;
+  int ind, kk;
+
+  ind = this->eltind[elti][eltj];
+  pp = rij * this->rdrar;
+  kk = (int)pp;
+  kk = std::min(kk, this->nrar - 2);
+  pp = pp - kk;
+  pp = std::min(pp, 1.0);
+  double result =
+    ((this->phirar3[ind][kk] * pp + this->phirar2[ind][kk]) * pp + this->phirar1[ind][kk]) * pp +
+    this->phirar[ind][kk];
+
+  return result;
+}
diff -Naur lammps-23Jun17/src/USER-MEAMC/meam_setup_global.cpp lammps-6Jul17/src/USER-MEAMC/meam_setup_global.cpp
--- lammps-23Jun17/src/USER-MEAMC/meam_setup_global.cpp	1969-12-31 17:00:00.000000000 -0700
+++ lammps-6Jul17/src/USER-MEAMC/meam_setup_global.cpp	2017-07-03 12:44:11.418454000 -0600
@@ -0,0 +1,70 @@
+#include "meam.h"
+#include <math.h>
+using namespace LAMMPS_NS;
+
+void
+MEAM::meam_setup_global(int nelt, lattice_t* lat, double* z, int* ielement, double* atwt, double* alpha,
+                        double* b0, double* b1, double* b2, double* b3, double* alat, double* esub,
+                        double* asub, double* t0, double* t1, double* t2, double* t3, double* rozero,
+                        int* ibar)
+{
+
+  int i;
+  double tmplat[maxelt];
+
+  this->neltypes = nelt;
+
+  for (i = 0; i < nelt; i++) {
+    this->lattce_meam[i][i] = lat[i];
+
+    this->Z_meam[i] = z[i];
+    this->ielt_meam[i] = ielement[i];
+    this->alpha_meam[i][i] = alpha[i];
+    this->beta0_meam[i] = b0[i];
+    this->beta1_meam[i] = b1[i];
+    this->beta2_meam[i] = b2[i];
+    this->beta3_meam[i] = b3[i];
+    tmplat[i] = alat[i];
+    this->Ec_meam[i][i] = esub[i];
+    this->A_meam[i] = asub[i];
+    this->t0_meam[i] = t0[i];
+    this->t1_meam[i] = t1[i];
+    this->t2_meam[i] = t2[i];
+    this->t3_meam[i] = t3[i];
+    this->rho0_meam[i] = rozero[i];
+    this->ibar_meam[i] = ibar[i];
+
+    if (this->lattce_meam[i][i] == FCC)
+      this->re_meam[i][i] = tmplat[i] / sqrt(2.0);
+    else if (this->lattce_meam[i][i] == BCC)
+      this->re_meam[i][i] = tmplat[i] * sqrt(3.0) / 2.0;
+    else if (this->lattce_meam[i][i] == HCP)
+      this->re_meam[i][i] = tmplat[i];
+    else if (this->lattce_meam[i][i] == DIM)
+      this->re_meam[i][i] = tmplat[i];
+    else if (this->lattce_meam[i][i] == DIA)
+      this->re_meam[i][i] = tmplat[i] * sqrt(3.0) / 4.0;
+    else {
+      //           error
+    }
+  }
+
+  // Set some defaults
+  this->rc_meam = 4.0;
+  this->delr_meam = 0.1;
+  setall2d(this->attrac_meam, 0.0);
+  setall2d(this->repuls_meam, 0.0);
+  setall3d(this->Cmax_meam, 2.8);
+  setall3d(this->Cmin_meam, 2.0);
+  setall2d(this->ebound_meam, pow(2.8, 2) / (4.0 * (2.8 - 1.0)));
+  setall2d(this->delta_meam, 0.0);
+  setall2d(this->nn2_meam, 0);
+  setall2d(this->zbl_meam, 1);
+  this->gsmooth_factor = 99.0;
+  this->augt1 = 1;
+  this->ialloy = 0;
+  this->mix_ref_t = 0;
+  this->emb_lin_neg = 0;
+  this->bkgd_dyn = 0;
+  this->erose_form = 0;
+}
diff -Naur lammps-23Jun17/src/USER-MEAMC/meam_setup_param.cpp lammps-6Jul17/src/USER-MEAMC/meam_setup_param.cpp
--- lammps-23Jun17/src/USER-MEAMC/meam_setup_param.cpp	1969-12-31 17:00:00.000000000 -0700
+++ lammps-6Jul17/src/USER-MEAMC/meam_setup_param.cpp	2017-07-03 12:44:11.418454000 -0600
@@ -0,0 +1,209 @@
+#include "meam.h"
+#include <algorithm>
+using namespace LAMMPS_NS;
+
+//
+//     do a sanity check on index parameters
+void
+MEAM::meam_checkindex(int num, int lim, int nidx, int* idx /*idx(3)*/, int* ierr)
+{
+  //: idx[0..2]
+  *ierr = 0;
+  if (nidx < num) {
+    *ierr = 2;
+    return;
+  }
+
+  for (int i = 0; i < num; i++) {
+    if ((idx[i] < 0) || (idx[i] >= lim)) {
+      *ierr = 3;
+      return;
+    }
+  }
+}
+
+//     The "which" argument corresponds to the index of the "keyword" array
+//     in pair_meam.cpp:
+//
+//     0 = Ec_meam
+//     1 = alpha_meam
+//     2 = rho0_meam
+//     3 = delta_meam
+//     4 = lattce_meam
+//     5 = attrac_meam
+//     6 = repuls_meam
+//     7 = nn2_meam
+//     8 = Cmin_meam
+//     9 = Cmax_meam
+//     10 = rc_meam
+//     11 = delr_meam
+//     12 = augt1
+//     13 = gsmooth_factor
+//     14 = re_meam
+//     15 = ialloy
+//     16 = mixture_ref_t
+//     17 = erose_form
+//     18 = zbl_meam
+//     19 = emb_lin_neg
+//     20 = bkgd_dyn
+
+void
+MEAM::meam_setup_param(int which, double value, int nindex, int* index /*index(3)*/, int* errorflag)
+{
+  //: index[0..2]
+  int i1, i2;
+  lattice_t vlat;
+  *errorflag = 0;
+
+  switch (which) {
+    //     0 = Ec_meam
+    case 0:
+      meam_checkindex(2, neltypes, nindex, index, errorflag);
+      if (*errorflag != 0)
+        return;
+      this->Ec_meam[index[0]][index[1]] = value;
+      break;
+
+    //     1 = alpha_meam
+    case 1:
+      meam_checkindex(2, neltypes, nindex, index, errorflag);
+      if (*errorflag != 0)
+        return;
+      this->alpha_meam[index[0]][index[1]] = value;
+      break;
+
+    //     2 = rho0_meam
+    case 2:
+      meam_checkindex(1, neltypes, nindex, index, errorflag);
+      if (*errorflag != 0)
+        return;
+      this->rho0_meam[index[0]] = value;
+      break;
+
+    //     3 = delta_meam
+    case 3:
+      meam_checkindex(2, neltypes, nindex, index, errorflag);
+      if (*errorflag != 0)
+        return;
+      this->delta_meam[index[0]][index[1]] = value;
+      break;
+
+    //     4 = lattce_meam
+    case 4:
+      meam_checkindex(2, neltypes, nindex, index, errorflag);
+      if (*errorflag != 0)
+        return;
+      vlat = (lattice_t)value;
+
+      this->lattce_meam[index[0]][index[1]] = vlat;
+      break;
+
+    //     5 = attrac_meam
+    case 5:
+      meam_checkindex(2, neltypes, nindex, index, errorflag);
+      if (*errorflag != 0)
+        return;
+      this->attrac_meam[index[0]][index[1]] = value;
+      break;
+
+    //     6 = repuls_meam
+    case 6:
+      meam_checkindex(2, neltypes, nindex, index, errorflag);
+      if (*errorflag != 0)
+        return;
+      this->repuls_meam[index[0]][index[1]] = value;
+      break;
+
+    //     7 = nn2_meam
+    case 7:
+      meam_checkindex(2, neltypes, nindex, index, errorflag);
+      if (*errorflag != 0)
+        return;
+      i1 = std::min(index[0], index[1]);
+      i2 = std::max(index[0], index[1]);
+      this->nn2_meam[i1][i2] = (int)value;
+      break;
+
+    //     8 = Cmin_meam
+    case 8:
+      meam_checkindex(3, neltypes, nindex, index, errorflag);
+      if (*errorflag != 0)
+        return;
+      this->Cmin_meam[index[0]][index[1]][index[2]] = value;
+      break;
+
+    //     9 = Cmax_meam
+    case 9:
+      meam_checkindex(3, neltypes, nindex, index, errorflag);
+      if (*errorflag != 0)
+        return;
+      this->Cmax_meam[index[0]][index[1]][index[2]] = value;
+      break;
+
+    //     10 = rc_meam
+    case 10:
+      this->rc_meam = value;
+      break;
+
+    //     11 = delr_meam
+    case 11:
+      this->delr_meam = value;
+      break;
+
+    //     12 = augt1
+    case 12:
+      this->augt1 = (int)value;
+      break;
+
+    //     13 = gsmooth
+    case 13:
+      this->gsmooth_factor = value;
+      break;
+
+    //     14 = re_meam
+    case 14:
+      meam_checkindex(2, neltypes, nindex, index, errorflag);
+      if (*errorflag != 0)
+        return;
+      this->re_meam[index[0]][index[1]] = value;
+      break;
+
+    //     15 = ialloy
+    case 15:
+      this->ialloy = (int)value;
+      break;
+
+    //     16 = mixture_ref_t
+    case 16:
+      this->mix_ref_t = (int)value;
+      break;
+
+    //     17 = erose_form
+    case 17:
+      this->erose_form = (int)value;
+      break;
+
+    //     18 = zbl_meam
+    case 18:
+      meam_checkindex(2, neltypes, nindex, index, errorflag);
+      if (*errorflag != 0)
+        return;
+      i1 = std::min(index[0], index[1]);
+      i2 = std::max(index[0], index[1]);
+      this->zbl_meam[i1][i2] = (int)value;
+      break;
+
+    //     19 = emb_lin_neg
+    case 19:
+      this->emb_lin_neg = (int)value;
+      break;
+
+    //     20 = bkgd_dyn
+    case 20:
+      this->bkgd_dyn = (int)value;
+      break;
+
+    default:
+      *errorflag = 1;
+  }
+}
diff -Naur lammps-23Jun17/src/USER-MEAMC/pair_meamc.cpp lammps-6Jul17/src/USER-MEAMC/pair_meamc.cpp
--- lammps-23Jun17/src/USER-MEAMC/pair_meamc.cpp	1969-12-31 17:00:00.000000000 -0700
+++ lammps-6Jul17/src/USER-MEAMC/pair_meamc.cpp	2017-07-03 12:44:11.418454000 -0600
@@ -0,0 +1,782 @@
+/* ----------------------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+/* ----------------------------------------------------------------------
+   Contributing author: Greg Wagner (SNL)
+------------------------------------------------------------------------- */
+
+#include <math.h>
+#include <stdio.h>
+#include <stdlib.h>
+#include <string.h>
+#include "meam.h"
+#include "pair_meamc.h"
+#include "atom.h"
+#include "force.h"
+#include "comm.h"
+#include "memory.h"
+#include "neighbor.h"
+#include "neigh_list.h"
+#include "neigh_request.h"
+#include "memory.h"
+#include "error.h"
+
+using namespace LAMMPS_NS;
+
+#define MAXLINE 1024
+
+static const int nkeywords = 21;
+static const char *keywords[] = {
+  "Ec","alpha","rho0","delta","lattce",
+  "attrac","repuls","nn2","Cmin","Cmax","rc","delr",
+  "augt1","gsmooth_factor","re","ialloy",
+  "mixture_ref_t","erose_form","zbl",
+  "emb_lin_neg","bkgd_dyn"};
+
+/* ---------------------------------------------------------------------- */
+
+PairMEAMC::PairMEAMC(LAMMPS *lmp) : Pair(lmp)
+{
+  single_enable = 0;
+  restartinfo = 0;
+  one_coeff = 1;
+  manybody_flag = 1;
+
+  allocated = 0;
+
+  nelements = 0;
+  elements = NULL;
+  mass = NULL;
+  meam_inst = new MEAM(memory);
+
+  // set comm size needed by this Pair
+
+  comm_forward = 38;
+  comm_reverse = 30;
+}
+
+/* ----------------------------------------------------------------------
+   free all arrays
+   check if allocated, since class can be destructed when incomplete
+------------------------------------------------------------------------- */
+
+PairMEAMC::~PairMEAMC()
+{
+  delete meam_inst;
+
+  for (int i = 0; i < nelements; i++) delete [] elements[i];
+  delete [] elements;
+  delete [] mass;
+
+  if (allocated) {
+    memory->destroy(setflag);
+    memory->destroy(cutsq);
+    delete [] map;
+  }
+}
+
+/* ---------------------------------------------------------------------- */
+
+void PairMEAMC::compute(int eflag, int vflag)
+{
+  int i,ii,n,inum_half,errorflag;
+  int *ilist_half,*numneigh_half,**firstneigh_half;
+  int *numneigh_full,**firstneigh_full;
+
+  if (eflag || vflag) ev_setup(eflag,vflag);
+  else evflag = vflag_fdotr = eflag_global = vflag_global =
+         eflag_atom = vflag_atom = 0;
+
+  // neighbor list info
+
+  inum_half = listhalf->inum;
+  ilist_half = listhalf->ilist;
+  numneigh_half = listhalf->numneigh;
+  firstneigh_half = listhalf->firstneigh;
+  numneigh_full = listfull->numneigh;
+  firstneigh_full = listfull->firstneigh;
+
+  // strip neighbor lists of any special bond flags before using with MEAM
+  // necessary before doing neigh_f2c and neigh_c2f conversions each step
+
+  if (neighbor->ago == 0) {
+    neigh_strip(inum_half,ilist_half,numneigh_half,firstneigh_half);
+    neigh_strip(inum_half,ilist_half,numneigh_full,firstneigh_full);
+  }
+
+  // check size of scrfcn based on half neighbor list
+
+  int nlocal = atom->nlocal;
+  int nall = nlocal + atom->nghost;
+
+  n = 0;
+  for (ii = 0; ii < inum_half; ii++) n += numneigh_half[ilist_half[ii]];
+  
+  meam_inst->meam_dens_setup(atom->nmax, nall, n);
+
+  double **x = atom->x;
+  double **f = atom->f;
+  int *type = atom->type;
+  int ntype = atom->ntypes;
+
+  // 3 stages of MEAM calculation
+  // loop over my atoms followed by communication
+
+  int offset = 0;
+  errorflag = 0;
+
+  for (ii = 0; ii < inum_half; ii++) {
+    i = ilist_half[ii];
+    meam_inst->meam_dens_init(i,ntype,type,map,x,
+                    numneigh_half[i],firstneigh_half[i],
+                    numneigh_full[i],firstneigh_full[i],
+                    offset);
+    offset += numneigh_half[i];
+  }
+
+  comm->reverse_comm_pair(this);
+
+  meam_inst->meam_dens_final(nlocal,eflag_either,eflag_global,eflag_atom,
+                   &eng_vdwl,eatom,ntype,type,map,errorflag);
+  if (errorflag) {
+    char str[128];
+    sprintf(str,"MEAM library error %d",errorflag);
+    error->one(FLERR,str);
+  }
+
+  comm->forward_comm_pair(this);
+
+  offset = 0;
+
+  // vptr is first value in vatom if it will be used by meam_force()
+  // else vatom may not exist, so pass dummy ptr
+
+  double **vptr;
+  if (vflag_atom) vptr = vatom;
+  else vptr = NULL;
+
+  for (ii = 0; ii < inum_half; ii++) {
+    i = ilist_half[ii];
+    meam_inst->meam_force(i,eflag_either,eflag_global,eflag_atom,
+                vflag_atom,&eng_vdwl,eatom,ntype,type,map,x,
+                numneigh_half[i],firstneigh_half[i],
+                numneigh_full[i],firstneigh_full[i],
+                offset,f,vptr);
+    offset += numneigh_half[i];
+  }
+
+  if (vflag_fdotr) virial_fdotr_compute();
+}
+
+/* ---------------------------------------------------------------------- */
+
+void PairMEAMC::allocate()
+{
+  allocated = 1;
+  int n = atom->ntypes;
+
+  memory->create(setflag,n+1,n+1,"pair:setflag");
+  memory->create(cutsq,n+1,n+1,"pair:cutsq");
+
+  map = new int[n+1];
+}
+
+/* ----------------------------------------------------------------------
+   global settings
+------------------------------------------------------------------------- */
+
+void PairMEAMC::settings(int narg, char **arg)
+{
+  if (narg != 0) error->all(FLERR,"Illegal pair_style command");
+}
+
+/* ----------------------------------------------------------------------
+   set coeffs for one or more type pairs
+------------------------------------------------------------------------- */
+
+void PairMEAMC::coeff(int narg, char **arg)
+{
+  int i,j,m,n;
+
+  if (!allocated) allocate();
+
+  if (narg < 6) error->all(FLERR,"Incorrect args for pair coefficients");
+
+  // insure I,J args are * *
+
+  if (strcmp(arg[0],"*") != 0 || strcmp(arg[1],"*") != 0)
+    error->all(FLERR,"Incorrect args for pair coefficients");
+
+  // read MEAM element names between 2 filenames
+  // nelements = # of MEAM elements
+  // elements = list of unique element names
+
+  if (nelements) {
+    for (i = 0; i < nelements; i++) delete [] elements[i];
+    delete [] elements;
+    delete [] mass;
+  }
+  nelements = narg - 4 - atom->ntypes;
+  if (nelements < 1) error->all(FLERR,"Incorrect args for pair coefficients");
+  elements = new char*[nelements];
+  mass = new double[nelements];
+
+  for (i = 0; i < nelements; i++) {
+    n = strlen(arg[i+3]) + 1;
+    elements[i] = new char[n];
+    strcpy(elements[i],arg[i+3]);
+  }
+
+  // read MEAM library and parameter files
+  // pass all parameters to MEAM package
+  // tell MEAM package that setup is done
+
+  read_files(arg[2],arg[2+nelements+1]);
+  meam_inst->meam_setup_done(&cutmax);
+
+  // read args that map atom types to MEAM elements
+  // map[i] = which element the Ith atom type is, -1 if not mapped
+
+  for (i = 4 + nelements; i < narg; i++) {
+    m = i - (4+nelements) + 1;
+    for (j = 0; j < nelements; j++)
+      if (strcmp(arg[i],elements[j]) == 0) break;
+    if (j < nelements) map[m] = j;
+    else if (strcmp(arg[i],"NULL") == 0) map[m] = -1;
+    else error->all(FLERR,"Incorrect args for pair coefficients");
+  }
+
+  // clear setflag since coeff() called once with I,J = * *
+
+  n = atom->ntypes;
+  for (int i = 1; i <= n; i++)
+    for (int j = i; j <= n; j++)
+      setflag[i][j] = 0;
+
+  // set setflag i,j for type pairs where both are mapped to elements
+  // set mass for i,i in atom class
+
+  int count = 0;
+  for (int i = 1; i <= n; i++)
+    for (int j = i; j <= n; j++)
+      if (map[i] >= 0 && map[j] >= 0) {
+        setflag[i][j] = 1;
+        if (i == j) atom->set_mass(FLERR,i,mass[map[i]]);
+        count++;
+      }
+
+  if (count == 0) error->all(FLERR,"Incorrect args for pair coefficients");
+}
+
+/* ----------------------------------------------------------------------
+   init specific to this pair style
+------------------------------------------------------------------------- */
+
+void PairMEAMC::init_style()
+{
+  if (force->newton_pair == 0)
+    error->all(FLERR,"Pair style MEAM requires newton pair on");
+
+  // need full and half neighbor list
+
+  int irequest_full = neighbor->request(this,instance_me);
+  neighbor->requests[irequest_full]->id = 1;
+  neighbor->requests[irequest_full]->half = 0;
+  neighbor->requests[irequest_full]->full = 1;
+  int irequest_half = neighbor->request(this,instance_me);
+  neighbor->requests[irequest_half]->id = 2;
+}
+
+/* ----------------------------------------------------------------------
+   neighbor callback to inform pair style of neighbor list to use
+   half or full
+------------------------------------------------------------------------- */
+
+void PairMEAMC::init_list(int id, NeighList *ptr)
+{
+  if (id == 1) listfull = ptr;
+  else if (id == 2) listhalf = ptr;
+}
+
+/* ----------------------------------------------------------------------
+   init for one type pair i,j and corresponding j,i
+------------------------------------------------------------------------- */
+
+double PairMEAMC::init_one(int i, int j)
+{
+  return cutmax;
+}
+
+/* ---------------------------------------------------------------------- */
+
+void PairMEAMC::read_files(char *globalfile, char *userfile)
+{
+  // open global meamf file on proc 0
+
+  FILE *fp;
+  if (comm->me == 0) {
+    fp = force->open_potential(globalfile);
+    if (fp == NULL) {
+      char str[128];
+      sprintf(str,"Cannot open MEAM potential file %s",globalfile);
+      error->one(FLERR,str);
+    }
+  }
+
+  // allocate parameter arrays
+
+  int params_per_line = 19;
+
+  lattice_t *lat = new lattice_t[nelements];
+  int *ielement = new int[nelements];
+  int *ibar = new int[nelements];
+  double *z = new double[nelements];
+  double *atwt = new double[nelements];
+  double *alpha = new double[nelements];
+  double *b0 = new double[nelements];
+  double *b1 = new double[nelements];
+  double *b2 = new double[nelements];
+  double *b3 = new double[nelements];
+  double *alat = new double[nelements];
+  double *esub = new double[nelements];
+  double *asub = new double[nelements];
+  double *t0 = new double[nelements];
+  double *t1 = new double[nelements];
+  double *t2 = new double[nelements];
+  double *t3 = new double[nelements];
+  double *rozero = new double[nelements];
+
+  bool *found = new bool[nelements];
+  for (int i = 0; i < nelements; i++) found[i] = false;
+
+  // read each set of params from global MEAM file
+  // one set of params can span multiple lines
+  // store params if element name is in element list
+  // if element name appears multiple times, only store 1st entry
+
+  int i,n,nwords;
+  char **words = new char*[params_per_line+1];
+  char line[MAXLINE],*ptr;
+  int eof = 0;
+
+  int nset = 0;
+  while (1) {
+    if (comm->me == 0) {
+      ptr = fgets(line,MAXLINE,fp);
+      if (ptr == NULL) {
+        eof = 1;
+        fclose(fp);
+      } else n = strlen(line) + 1;
+    }
+    MPI_Bcast(&eof,1,MPI_INT,0,world);
+    if (eof) break;
+    MPI_Bcast(&n,1,MPI_INT,0,world);
+    MPI_Bcast(line,n,MPI_CHAR,0,world);
+
+    // strip comment, skip line if blank
+
+    if ((ptr = strchr(line,'#'))) *ptr = '\0';
+    nwords = atom->count_words(line);
+    if (nwords == 0) continue;
+
+    // concatenate additional lines until have params_per_line words
+
+    while (nwords < params_per_line) {
+      n = strlen(line);
+      if (comm->me == 0) {
+        ptr = fgets(&line[n],MAXLINE-n,fp);
+        if (ptr == NULL) {
+          eof = 1;
+          fclose(fp);
+        } else n = strlen(line) + 1;
+      }
+      MPI_Bcast(&eof,1,MPI_INT,0,world);
+      if (eof) break;
+      MPI_Bcast(&n,1,MPI_INT,0,world);
+      MPI_Bcast(line,n,MPI_CHAR,0,world);
+      if ((ptr = strchr(line,'#'))) *ptr = '\0';
+      nwords = atom->count_words(line);
+    }
+
+    if (nwords != params_per_line)
+      error->all(FLERR,"Incorrect format in MEAM potential file");
+
+    // words = ptrs to all words in line
+    // strip single and double quotes from words
+
+    nwords = 0;
+    words[nwords++] = strtok(line,"' \t\n\r\f");
+    while ((words[nwords++] = strtok(NULL,"' \t\n\r\f"))) continue;
+
+    // skip if element name isn't in element list
+
+    for (i = 0; i < nelements; i++)
+      if (strcmp(words[0],elements[i]) == 0) break;
+    if (i >= nelements) continue;
+
+    // skip if element already appeared
+
+    if (found[i] == true) continue;
+    found[i] = true;
+
+    // map lat string to an integer
+
+    if (strcmp(words[1],"fcc") == 0) lat[i] = FCC;
+    else if (strcmp(words[1],"bcc") == 0) lat[i] = BCC;
+    else if (strcmp(words[1],"hcp") == 0) lat[i] = HCP;
+    else if (strcmp(words[1],"dim") == 0) lat[i] = DIM;
+    else if (strcmp(words[1],"dia") == 0) lat[i] = DIA;
+    else error->all(FLERR,"Unrecognized lattice type in MEAM file 1");
+
+    // store parameters
+
+    z[i] = atof(words[2]);
+    ielement[i] = atoi(words[3]);
+    atwt[i] = atof(words[4]);
+    alpha[i] = atof(words[5]);
+    b0[i] = atof(words[6]);
+    b1[i] = atof(words[7]);
+    b2[i] = atof(words[8]);
+    b3[i] = atof(words[9]);
+    alat[i] = atof(words[10]);
+    esub[i] = atof(words[11]);
+    asub[i] = atof(words[12]);
+    t0[i] = atof(words[13]);
+    t1[i] = atof(words[14]);
+    t2[i] = atof(words[15]);
+    t3[i] = atof(words[16]);
+    rozero[i] = atof(words[17]);
+    ibar[i] = atoi(words[18]);
+
+    nset++;
+  }
+
+  // error if didn't find all elements in file
+
+  if (nset != nelements)
+    error->all(FLERR,"Did not find all elements in MEAM library file");
+
+  // pass element parameters to MEAM package
+
+  meam_inst->meam_setup_global(nelements,lat,z,ielement,atwt,alpha,b0,b1,b2,b3,
+                       alat,esub,asub,t0,t1,t2,t3,rozero,ibar);
+
+  // set element masses
+
+  for (i = 0; i < nelements; i++) mass[i] = atwt[i];
+
+  // clean-up memory
+
+  delete [] words;
+
+  delete [] lat;
+  delete [] ielement;
+  delete [] ibar;
+  delete [] z;
+  delete [] atwt;
+  delete [] alpha;
+  delete [] b0;
+  delete [] b1;
+  delete [] b2;
+  delete [] b3;
+  delete [] alat;
+  delete [] esub;
+  delete [] asub;
+  delete [] t0;
+  delete [] t1;
+  delete [] t2;
+  delete [] t3;
+  delete [] rozero;
+  delete [] found;
+
+  // done if user param file is NULL
+
+  if (strcmp(userfile,"NULL") == 0) return;
+
+  // open user param file on proc 0
+
+  if (comm->me == 0) {
+    fp = force->open_potential(userfile);
+    if (fp == NULL) {
+      char str[128];
+      sprintf(str,"Cannot open MEAM potential file %s",userfile);
+      error->one(FLERR,str);
+    }
+  }
+
+  // read settings
+  // pass them one at a time to MEAM package
+  // match strings to list of corresponding ints
+
+  int which;
+  double value;
+  int nindex,index[3];
+  int maxparams = 6;
+  char **params = new char*[maxparams];
+  int nparams;
+
+  eof = 0;
+  while (1) {
+    if (comm->me == 0) {
+      ptr = fgets(line,MAXLINE,fp);
+      if (ptr == NULL) {
+        eof = 1;
+        fclose(fp);
+      } else n = strlen(line) + 1;
+    }
+    MPI_Bcast(&eof,1,MPI_INT,0,world);
+    if (eof) break;
+    MPI_Bcast(&n,1,MPI_INT,0,world);
+    MPI_Bcast(line,n,MPI_CHAR,0,world);
+
+    // strip comment, skip line if blank
+
+    if ((ptr = strchr(line,'#'))) *ptr = '\0';
+    nparams = atom->count_words(line);
+    if (nparams == 0) continue;
+
+    // words = ptrs to all words in line
+
+    nparams = 0;
+    params[nparams++] = strtok(line,"=(), '\t\n\r\f");
+    while (nparams < maxparams &&
+           (params[nparams++] = strtok(NULL,"=(), '\t\n\r\f")))
+      continue;
+    nparams--;
+
+    for (which = 0; which < nkeywords; which++)
+      if (strcmp(params[0],keywords[which]) == 0) break;
+    if (which == nkeywords) {
+      char str[128];
+      sprintf(str,"Keyword %s in MEAM parameter file not recognized",
+              params[0]);
+      error->all(FLERR,str);
+    }
+    nindex = nparams - 2;
+    for (i = 0; i < nindex; i++) index[i] = atoi(params[i+1]) - 1;
+
+    // map lattce_meam value to an integer
+
+    if (which == 4) {	
+      if (strcmp(params[nparams-1],"fcc") == 0) value = FCC;
+      else if (strcmp(params[nparams-1],"bcc") == 0) value = BCC;
+      else if (strcmp(params[nparams-1],"hcp") == 0) value = HCP;
+      else if (strcmp(params[nparams-1],"dim") == 0) value = DIM;
+      else if (strcmp(params[nparams-1],"dia") == 0) value = DIA;
+      else if (strcmp(params[nparams-1],"b1")  == 0) value = B1;
+      else if (strcmp(params[nparams-1],"c11") == 0) value = C11;
+      else if (strcmp(params[nparams-1],"l12") == 0) value = L12;
+      else if (strcmp(params[nparams-1],"b2")  == 0) value = B2;
+      else error->all(FLERR,"Unrecognized lattice type in MEAM file 2");
+    }
+    else value = atof(params[nparams-1]);
+
+    // pass single setting to MEAM package
+
+    int errorflag = 0;
+    meam_inst->meam_setup_param(which,value,nindex,index,&errorflag);
+    if (errorflag) {
+      char str[128];
+      sprintf(str,"MEAM library error %d",errorflag);
+      error->all(FLERR,str);
+    }
+  }
+
+  delete [] params;
+}
+
+/* ---------------------------------------------------------------------- */
+
+int PairMEAMC::pack_forward_comm(int n, int *list, double *buf,
+                                int pbc_flag, int *pbc)
+{
+  int i,j,k,m;
+
+  m = 0;
+  for (i = 0; i < n; i++) {
+    j = list[i];
+    buf[m++] = meam_inst->rho0[j];
+    buf[m++] = meam_inst->rho1[j];
+    buf[m++] = meam_inst->rho2[j];
+    buf[m++] = meam_inst->rho3[j];
+    buf[m++] = meam_inst->frhop[j];
+    buf[m++] = meam_inst->gamma[j];
+    buf[m++] = meam_inst->dgamma1[j];
+    buf[m++] = meam_inst->dgamma2[j];
+    buf[m++] = meam_inst->dgamma3[j];
+    buf[m++] = meam_inst->arho2b[j];
+    buf[m++] = meam_inst->arho1[j][0];
+    buf[m++] = meam_inst->arho1[j][1];
+    buf[m++] = meam_inst->arho1[j][2];
+    buf[m++] = meam_inst->arho2[j][0];
+    buf[m++] = meam_inst->arho2[j][1];
+    buf[m++] = meam_inst->arho2[j][2];
+    buf[m++] = meam_inst->arho2[j][3];
+    buf[m++] = meam_inst->arho2[j][4];
+    buf[m++] = meam_inst->arho2[j][5];
+    for (k = 0; k < 10; k++) buf[m++] = meam_inst->arho3[j][k];
+    buf[m++] = meam_inst->arho3b[j][0];
+    buf[m++] = meam_inst->arho3b[j][1];
+    buf[m++] = meam_inst->arho3b[j][2];
+    buf[m++] = meam_inst->t_ave[j][0];
+    buf[m++] = meam_inst->t_ave[j][1];
+    buf[m++] = meam_inst->t_ave[j][2];
+    buf[m++] = meam_inst->tsq_ave[j][0];
+    buf[m++] = meam_inst->tsq_ave[j][1];
+    buf[m++] = meam_inst->tsq_ave[j][2];
+  }
+
+  return m;
+}
+
+/* ---------------------------------------------------------------------- */
+
+void PairMEAMC::unpack_forward_comm(int n, int first, double *buf)
+{
+  int i,k,m,last;
+
+  m = 0;
+  last = first + n;
+  for (i = first; i < last; i++) {
+    meam_inst->rho0[i] = buf[m++];
+    meam_inst->rho1[i] = buf[m++];
+    meam_inst->rho2[i] = buf[m++];
+    meam_inst->rho3[i] = buf[m++];
+    meam_inst->frhop[i] = buf[m++];
+    meam_inst->gamma[i] = buf[m++];
+    meam_inst->dgamma1[i] = buf[m++];
+    meam_inst->dgamma2[i] = buf[m++];
+    meam_inst->dgamma3[i] = buf[m++];
+    meam_inst->arho2b[i] = buf[m++];
+    meam_inst->arho1[i][0] = buf[m++];
+    meam_inst->arho1[i][1] = buf[m++];
+    meam_inst->arho1[i][2] = buf[m++];
+    meam_inst->arho2[i][0] = buf[m++];
+    meam_inst->arho2[i][1] = buf[m++];
+    meam_inst->arho2[i][2] = buf[m++];
+    meam_inst->arho2[i][3] = buf[m++];
+    meam_inst->arho2[i][4] = buf[m++];
+    meam_inst->arho2[i][5] = buf[m++];
+    for (k = 0; k < 10; k++) meam_inst->arho3[i][k] = buf[m++];
+    meam_inst->arho3b[i][0] = buf[m++];
+    meam_inst->arho3b[i][1] = buf[m++];
+    meam_inst->arho3b[i][2] = buf[m++];
+    meam_inst->t_ave[i][0] = buf[m++];
+    meam_inst->t_ave[i][1] = buf[m++];
+    meam_inst->t_ave[i][2] = buf[m++];
+    meam_inst->tsq_ave[i][0] = buf[m++];
+    meam_inst->tsq_ave[i][1] = buf[m++];
+    meam_inst->tsq_ave[i][2] = buf[m++];
+  }
+}
+
+/* ---------------------------------------------------------------------- */
+
+int PairMEAMC::pack_reverse_comm(int n, int first, double *buf)
+{
+  int i,k,m,last;
+
+  m = 0;
+  last = first + n;
+  for (i = first; i < last; i++) {
+    buf[m++] = meam_inst->rho0[i];
+    buf[m++] = meam_inst->arho2b[i];
+    buf[m++] = meam_inst->arho1[i][0];
+    buf[m++] = meam_inst->arho1[i][1];
+    buf[m++] = meam_inst->arho1[i][2];
+    buf[m++] = meam_inst->arho2[i][0];
+    buf[m++] = meam_inst->arho2[i][1];
+    buf[m++] = meam_inst->arho2[i][2];
+    buf[m++] = meam_inst->arho2[i][3];
+    buf[m++] = meam_inst->arho2[i][4];
+    buf[m++] = meam_inst->arho2[i][5];
+    for (k = 0; k < 10; k++) buf[m++] = meam_inst->arho3[i][k];
+    buf[m++] = meam_inst->arho3b[i][0];
+    buf[m++] = meam_inst->arho3b[i][1];
+    buf[m++] = meam_inst->arho3b[i][2];
+    buf[m++] = meam_inst->t_ave[i][0];
+    buf[m++] = meam_inst->t_ave[i][1];
+    buf[m++] = meam_inst->t_ave[i][2];
+    buf[m++] = meam_inst->tsq_ave[i][0];
+    buf[m++] = meam_inst->tsq_ave[i][1];
+    buf[m++] = meam_inst->tsq_ave[i][2];
+  }
+
+  return m;
+}
+
+/* ---------------------------------------------------------------------- */
+
+void PairMEAMC::unpack_reverse_comm(int n, int *list, double *buf)
+{
+  int i,j,k,m;
+
+  m = 0;
+  for (i = 0; i < n; i++) {
+    j = list[i];
+    meam_inst->rho0[j] += buf[m++];
+    meam_inst->arho2b[j] += buf[m++];
+    meam_inst->arho1[j][0] += buf[m++];
+    meam_inst->arho1[j][1] += buf[m++];
+    meam_inst->arho1[j][2] += buf[m++];
+    meam_inst->arho2[j][0] += buf[m++];
+    meam_inst->arho2[j][1] += buf[m++];
+    meam_inst->arho2[j][2] += buf[m++];
+    meam_inst->arho2[j][3] += buf[m++];
+    meam_inst->arho2[j][4] += buf[m++];
+    meam_inst->arho2[j][5] += buf[m++];
+    for (k = 0; k < 10; k++) meam_inst->arho3[j][k] += buf[m++];
+    meam_inst->arho3b[j][0] += buf[m++];
+    meam_inst->arho3b[j][1] += buf[m++];
+    meam_inst->arho3b[j][2] += buf[m++];
+    meam_inst->t_ave[j][0] += buf[m++];
+    meam_inst->t_ave[j][1] += buf[m++];
+    meam_inst->t_ave[j][2] += buf[m++];
+    meam_inst->tsq_ave[j][0] += buf[m++];
+    meam_inst->tsq_ave[j][1] += buf[m++];
+    meam_inst->tsq_ave[j][2] += buf[m++];
+  }
+}
+
+/* ----------------------------------------------------------------------
+   memory usage of local atom-based arrays
+------------------------------------------------------------------------- */
+
+double PairMEAMC::memory_usage()
+{
+  double bytes = 11 * meam_inst->nmax * sizeof(double);
+  bytes += (3 + 6 + 10 + 3 + 3 + 3) * meam_inst->nmax * sizeof(double);
+  bytes += 3 * meam_inst->maxneigh * sizeof(double);
+  return bytes;
+}
+
+/* ----------------------------------------------------------------------
+   strip special bond flags from neighbor list entries
+   are not used with MEAM
+   need to do here so Fortran lib doesn't see them
+   done once per reneighbor so that neigh_f2c and neigh_c2f don't see them
+------------------------------------------------------------------------- */
+
+void PairMEAMC::neigh_strip(int inum, int *ilist,
+                           int *numneigh, int **firstneigh)
+{
+  int i,j,ii,jnum;
+  int *jlist;
+
+  for (ii = 0; ii < inum; ii++) {
+    i = ilist[ii];
+    jlist = firstneigh[i];
+    jnum = numneigh[i];
+    for (j = 0; j < jnum; j++) jlist[j] &= NEIGHMASK;
+  }
+}
diff -Naur lammps-23Jun17/src/USER-MEAMC/pair_meamc.h lammps-6Jul17/src/USER-MEAMC/pair_meamc.h
--- lammps-23Jun17/src/USER-MEAMC/pair_meamc.h	1969-12-31 17:00:00.000000000 -0700
+++ lammps-6Jul17/src/USER-MEAMC/pair_meamc.h	2017-07-03 12:44:11.418454000 -0600
@@ -0,0 +1,112 @@
+/* -*- c++ -*- ----------------------------------------------------------
+   LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
+   http://lammps.sandia.gov, Sandia National Laboratories
+   Steve Plimpton, sjplimp@sandia.gov
+
+   Copyright (2003) Sandia Corporation.  Under the terms of Contract
+   DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
+   certain rights in this software.  This software is distributed under
+   the GNU General Public License.
+
+   See the README file in the top-level LAMMPS directory.
+------------------------------------------------------------------------- */
+
+#ifdef PAIR_CLASS
+
+PairStyle(meam/c,PairMEAMC)
+
+#else
+
+#ifndef LMP_PAIR_MEAMC_H
+#define LMP_PAIR_MEAMC_H
+
+#include "pair.h"
+
+namespace LAMMPS_NS {
+class MEAM;
+
+class PairMEAMC : public Pair {
+ public:
+  PairMEAMC(class LAMMPS *);
+  ~PairMEAMC();
+  void compute(int, int);
+  void settings(int, char **);
+  void coeff(int, char **);
+  void init_style();
+  void init_list(int, class NeighList *);
+  double init_one(int, int);
+
+  int pack_forward_comm(int, int *, double *, int, int *);
+  void unpack_forward_comm(int, int, double *);
+  int pack_reverse_comm(int, int, double *);
+  void unpack_reverse_comm(int, int *, double *);
+  double memory_usage();
+
+ private:
+  class MEAM *meam_inst;
+  double cutmax;                // max cutoff for all elements
+  int nelements;                // # of unique elements
+  char **elements;              // names of unique elements
+  double *mass;                 // mass of each element
+
+  int *map;                     // mapping from atom types (1-indexed) to elements (1-indexed)
+
+  void allocate();
+  void read_files(char *, char *);
+  void neigh_strip(int, int *, int *, int **);
+};
+
+}
+
+#endif
+#endif
+
+/* ERROR/WARNING messages:
+
+E: MEAM library error %d
+
+A call to the MEAM Fortran library returned an error.
+
+E: Illegal ... command
+
+Self-explanatory.  Check the input script syntax and compare to the
+documentation for the command.  You can use -echo screen as a
+command-line option when running LAMMPS to see the offending line.
+
+E: Incorrect args for pair coefficients
+
+Self-explanatory.  Check the input script or data file.
+
+E: Pair style MEAM requires newton pair on
+
+See the newton command.  This is a restriction to use the MEAM
+potential.
+
+E: Cannot open MEAM potential file %s
+
+The specified MEAM potential file cannot be opened.  Check that the
+path and name are correct.
+
+E: Incorrect format in MEAM potential file
+
+Incorrect number of words per line in the potential file.
+
+E: Unrecognized lattice type in MEAM file 1
+
+The lattice type in an entry of the MEAM library file is not
+valid.
+
+E: Did not find all elements in MEAM library file
+
+The requested elements were not found in the MEAM file.
+
+E: Keyword %s in MEAM parameter file not recognized
+
+Self-explanatory.
+
+E: Unrecognized lattice type in MEAM file 2
+
+The lattice type in an entry of the MEAM parameter file is not
+valid.
+
+*/
diff -Naur lammps-23Jun17/src/USER-OMP/fix_qeq_reax_omp.cpp lammps-6Jul17/src/USER-OMP/fix_qeq_reax_omp.cpp
--- lammps-23Jun17/src/USER-OMP/fix_qeq_reax_omp.cpp	2017-06-15 09:50:15.000000000 -0600
+++ lammps-6Jul17/src/USER-OMP/fix_qeq_reax_omp.cpp	2017-06-30 11:28:55.169850000 -0600
@@ -172,6 +172,7 @@
     H.firstnbr[ai] = num_nbrs;
     num_nbrs += numneigh[ai];
   }
+  m_fill = num_nbrs;
 
   // fill in the H matrix
 
diff -Naur lammps-23Jun17/src/USER-OMP/pair_agni_omp.cpp lammps-6Jul17/src/USER-OMP/pair_agni_omp.cpp
--- lammps-23Jun17/src/USER-OMP/pair_agni_omp.cpp	2016-11-17 09:06:01.000000000 -0700
+++ lammps-6Jul17/src/USER-OMP/pair_agni_omp.cpp	2017-07-03 12:30:34.524715000 -0600
@@ -29,127 +29,6 @@
 using namespace LAMMPS_NS;
 using namespace MathSpecial;
 
-/*
-   Copyright (c) 2012,2013   Axel Kohlmeyer <akohlmey@gmail.com>
-   All rights reserved.
-
-   Redistribution and use in source and binary forms, with or without
-   modification, are permitted provided that the following conditions
-   are met:
-
-   * Redistributions of source code must retain the above copyright
-     notice, this list of conditions and the following disclaimer.
-   * Redistributions in binary form must reproduce the above copyright
-     notice, this list of conditions and the following disclaimer in the
-     documentation and/or other materials provided with the distribution.
-   * Neither the name of the <organization> nor the
-     names of its contributors may be used to endorse or promote products
-     derived from this software without specific prior written permission.
-
-THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
-AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
-IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE
-ARE DISCLAIMED. IN NO EVENT SHALL <COPYRIGHT HOLDER> BE LIABLE FOR ANY
-DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES
-(INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES;
-LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND
-ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT
-(INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF
-THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
-*/
-
-/* faster versions of 2**x, e**x, and 10**x in single and double precision.
- *
- * Based on the Cephes math library 2.8
- */
-
-/* internal definitions for the fastermath library */
-
-/* IEEE 754 double precision floating point data manipulation */
-typedef union
-{
-    double   f;
-    uint64_t u;
-    struct {int32_t  i0,i1;};
-}  udi_t;
-#define FM_DOUBLE_BIAS 1023
-#define FM_DOUBLE_EMASK 2146435072
-#define FM_DOUBLE_MBITS 20
-#define FM_DOUBLE_MMASK 1048575
-#define FM_DOUBLE_EZERO 1072693248
-
-/* generate 2**num in floating point by bitshifting */
-#define FM_DOUBLE_INIT_EXP(var,num)                 \
-    var.i0 = 0;                                     \
-    var.i1 = (((int) num) + FM_DOUBLE_BIAS) << 20
-
-/* double precision constants */
-#define FM_DOUBLE_LOG2OFE  1.4426950408889634074
-#define FM_DOUBLE_LOGEOF2  6.9314718055994530942e-1
-#define FM_DOUBLE_LOG2OF10 3.32192809488736234789
-#define FM_DOUBLE_LOG10OF2 3.0102999566398119521e-1
-#define FM_DOUBLE_LOG10OFE 4.3429448190325182765e-1
-#define FM_DOUBLE_SQRT2    1.41421356237309504880
-#define FM_DOUBLE_SQRTH    0.70710678118654752440
-
-/* optimizer friendly implementation of exp2(x).
- *
- * strategy:
- *
- * split argument into an integer part and a fraction:
- * ipart = floor(x+0.5);
- * fpart = x - ipart;
- *
- * compute exp2(ipart) from setting the ieee754 exponent
- * compute exp2(fpart) using a pade' approximation for x in [-0.5;0.5[
- *
- * the result becomes: exp2(x) = exp2(ipart) * exp2(fpart)
- */
-
-static const double fm_exp2_q[] = {
-/*  1.00000000000000000000e0, */
-    2.33184211722314911771e2,
-    4.36821166879210612817e3
-};
-static const double fm_exp2_p[] = {
-    2.30933477057345225087e-2,
-    2.02020656693165307700e1,
-    1.51390680115615096133e3
-};
-
-static double fm_exp2(double x)
-{
-    double   ipart, fpart, px, qx;
-    udi_t    epart;
-
-    ipart = floor(x+0.5);
-    fpart = x - ipart;
-    FM_DOUBLE_INIT_EXP(epart,ipart);
-
-    x = fpart*fpart;
-
-    px =        fm_exp2_p[0];
-    px = px*x + fm_exp2_p[1];
-    qx =    x + fm_exp2_q[0];
-    px = px*x + fm_exp2_p[2];
-    qx = qx*x + fm_exp2_q[1];
-
-    px = px * fpart;
-
-    x = 1.0 + 2.0*(px/(qx-px));
-    return epart.f*x;
-}
-
-static double fm_exp(double x)
-{
-#if defined(__BYTE_ORDER__)
-#if __BYTE_ORDER__ == __ORDER_LITTLE_ENDIAN__
-    return fm_exp2(FM_DOUBLE_LOG2OFE * (x));
-#endif
-#endif
-    return exp(x);
-}
-
 /* ---------------------------------------------------------------------- */
 
 PairAGNIOMP::PairAGNIOMP(LAMMPS *lmp) :
diff -Naur lammps-23Jun17/src/USER-OMP/pair_reaxc_omp.cpp lammps-6Jul17/src/USER-OMP/pair_reaxc_omp.cpp
--- lammps-23Jun17/src/USER-OMP/pair_reaxc_omp.cpp	2017-06-22 07:57:19.000000000 -0600
+++ lammps-6Jul17/src/USER-OMP/pair_reaxc_omp.cpp	2017-06-30 11:28:55.169850000 -0600
@@ -84,10 +84,11 @@
 
 PairReaxCOMP::~PairReaxCOMP()
 {
-  reax_list * bonds = lists+BONDS;
-  for (int i=0; i<bonds->num_intrs; ++i)
-    sfree(bonds->select.bond_list[i].bo_data.CdboReduction, "CdboReduction");
-
+  if (setup_flag) {
+    reax_list * bonds = lists+BONDS;
+    for (int i=0; i<bonds->num_intrs; ++i)
+      sfree(bonds->select.bond_list[i].bo_data.CdboReduction, "CdboReduction");
+  }
   memory->destroy(num_nbrs_offset);
 
 #ifdef OMP_TIMING
diff -Naur lammps-23Jun17/src/USER-OMP/pppm_tip4p_omp.cpp lammps-6Jul17/src/USER-OMP/pppm_tip4p_omp.cpp
--- lammps-23Jun17/src/USER-OMP/pppm_tip4p_omp.cpp	2017-01-04 08:52:53.000000000 -0700
+++ lammps-6Jul17/src/USER-OMP/pppm_tip4p_omp.cpp	2017-07-03 12:30:34.524715000 -0600
@@ -48,7 +48,7 @@
 PPPMTIP4POMP::PPPMTIP4POMP(LAMMPS *lmp, int narg, char **arg) :
   PPPMTIP4P(lmp, narg, arg), ThrOMP(lmp, THR_KSPACE)
 {
-  triclinic_support = 0;
+  triclinic_support = 1;
   suffix_flag |= Suffix::OMP;
 }
 
@@ -735,6 +735,8 @@
 
 void PPPMTIP4POMP::find_M_thr(int i, int &iH1, int &iH2, dbl3_t &xM)
 {
+  double **x = atom->x;
+
   iH1 = atom->map(atom->tag[i] + 1);
   iH2 = atom->map(atom->tag[i] + 2);
 
@@ -742,24 +744,102 @@
   if (atom->type[iH1] != typeH || atom->type[iH2] != typeH)
     error->one(FLERR,"TIP4P hydrogen has incorrect atom type");
 
-  // set iH1,iH2 to index of closest image to O
+  if (triclinic) {
 
-  iH1 = domain->closest_image(i,iH1);
-  iH2 = domain->closest_image(i,iH2);
+    // need to use custom code to find the closest image for triclinic,
+    // since local atoms are in lambda coordinates, but ghosts are not.
 
-  const dbl3_t * _noalias const x = (dbl3_t *) atom->x[0];
+    int *sametag = atom->sametag;
+    double xo[3],xh1[3],xh2[3];
+
+    domain->lamda2x(x[i],xo);
+    domain->lamda2x(x[iH1],xh1);
+    domain->lamda2x(x[iH2],xh2);
+
+    double delx = xo[0] - xh1[0];
+    double dely = xo[1] - xh1[1];
+    double delz = xo[2] - xh1[2];
+    double rsqmin = delx*delx + dely*dely + delz*delz;
+    double rsq;
+    int closest = iH1;
+
+    while (sametag[iH1] >= 0) {
+      iH1 = sametag[iH1];
+      delx = xo[0] - x[iH1][0];
+      dely = xo[1] - x[iH1][1];
+      delz = xo[2] - x[iH1][2];
+      rsq = delx*delx + dely*dely + delz*delz;
+      if (rsq < rsqmin) {
+        rsqmin = rsq;
+        closest = iH1;
+        xh1[0] = x[iH1][0];
+        xh1[1] = x[iH1][1];
+        xh1[2] = x[iH1][2];
+      }
+    }
+    iH1 = closest;
+
+    closest = iH2;
+    delx = xo[0] - xh2[0];
+    dely = xo[1] - xh2[1];
+    delz = xo[2] - xh2[2];
+    rsqmin = delx*delx + dely*dely + delz*delz;
+
+    while (sametag[iH2] >= 0) {
+      iH2 = sametag[iH2];
+      delx = xo[0] - x[iH2][0];
+      dely = xo[1] - x[iH2][1];
+      delz = xo[2] - x[iH2][2];
+      rsq = delx*delx + dely*dely + delz*delz;
+      if (rsq < rsqmin) {
+        rsqmin = rsq;
+        closest = iH2;
+        xh2[0] = x[iH2][0];
+        xh2[1] = x[iH2][1];
+        xh2[2] = x[iH2][2];
+      }
+    }
+    iH2 = closest;
+
+    // finally compute M in real coordinates ...
+
+    double delx1 = xh1[0] - xo[0];
+    double dely1 = xh1[1] - xo[1];
+    double delz1 = xh1[2] - xo[2];
 
-  double delx1 = x[iH1].x - x[i].x;
-  double dely1 = x[iH1].y - x[i].y;
-  double delz1 = x[iH1].z - x[i].z;
-
-  double delx2 = x[iH2].x - x[i].x;
-  double dely2 = x[iH2].y - x[i].y;
-  double delz2 = x[iH2].z - x[i].z;
-
-  xM.x = x[i].x + alpha * 0.5 * (delx1 + delx2);
-  xM.y = x[i].y + alpha * 0.5 * (dely1 + dely2);
-  xM.z = x[i].z + alpha * 0.5 * (delz1 + delz2);
+    double delx2 = xh2[0] - xo[0];
+    double dely2 = xh2[1] - xo[1];
+    double delz2 = xh2[2] - xo[2];
+
+    xM.x = xo[0] + alpha * 0.5 * (delx1 + delx2);
+    xM.y = xo[1] + alpha * 0.5 * (dely1 + dely2);
+    xM.z = xo[2] + alpha * 0.5 * (delz1 + delz2);
+
+    // ... and convert M to lamda space for PPPM
+
+    domain->x2lamda((double *)&xM,(double *)&xM);
+
+  } else {
+
+    // set iH1,iH2 to index of closest image to O
+
+    iH1 = domain->closest_image(i,iH1);
+    iH2 = domain->closest_image(i,iH2);
+
+    const dbl3_t * _noalias const x = (dbl3_t *) atom->x[0];
+
+    double delx1 = x[iH1].x - x[i].x;
+    double dely1 = x[iH1].y - x[i].y;
+    double delz1 = x[iH1].z - x[i].z;
+
+    double delx2 = x[iH2].x - x[i].x;
+    double dely2 = x[iH2].y - x[i].y;
+    double delz2 = x[iH2].z - x[i].z;
+
+    xM.x = x[i].x + alpha * 0.5 * (delx1 + delx2);
+    xM.y = x[i].y + alpha * 0.5 * (dely1 + dely2);
+    xM.z = x[i].z + alpha * 0.5 * (delz1 + delz2);
+  }
 }
 
 
diff -Naur lammps-23Jun17/src/atom.cpp lammps-6Jul17/src/atom.cpp
--- lammps-23Jun17/src/atom.cpp	2017-06-16 16:53:02.000000000 -0600
+++ lammps-6Jul17/src/atom.cpp	2017-06-30 11:28:55.169850000 -0600
@@ -1514,12 +1514,13 @@
 }
 
 /* ----------------------------------------------------------------------
-   check that all masses have been set
+   check that all per-atom-type masses have been set
 ------------------------------------------------------------------------- */
 
 void Atom::check_mass(const char *file, int line)
 {
   if (mass == NULL) return;
+  if (rmass_flag) return;
   for (int itype = 1; itype <= ntypes; itype++)
     if (mass_setflag[itype] == 0) 
       error->all(file,line,"Not all per-type masses are set");
diff -Naur lammps-23Jun17/src/create_bonds.cpp lammps-6Jul17/src/create_bonds.cpp
--- lammps-23Jun17/src/create_bonds.cpp	2016-07-22 15:19:08.000000000 -0600
+++ lammps-6Jul17/src/create_bonds.cpp	2017-07-03 08:42:50.576833000 -0600
@@ -11,6 +11,10 @@
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
 
+/* ----------------------------------------------------------------------
+   Contributing authors: Mike Salerno (NRL) added single methods
+------------------------------------------------------------------------- */
+
 #include <stdlib.h>
 #include <string.h>
 #include "create_bonds.h"
@@ -27,6 +31,8 @@
 
 using namespace LAMMPS_NS;
 
+enum{MANY,SBOND,SANGLE,SDIHEDRAL};
+
 /* ---------------------------------------------------------------------- */
 
 CreateBonds::CreateBonds(LAMMPS *lmp) : Pointers(lmp) {}
@@ -42,25 +48,104 @@
   if (atom->molecular != 1)
     error->all(FLERR,"Cannot use create_bonds with non-molecular system");
 
-  if (narg != 5) error->all(FLERR,"Illegal create_bonds command");
+  if (narg < 4) error->all(FLERR,"Illegal create_bonds command");
 
   // parse args
 
-  int igroup = group->find(arg[0]);
-  if (igroup == -1) error->all(FLERR,"Cannot find create_bonds group ID");
-  int group1bit = group->bitmask[igroup];
-  igroup = group->find(arg[1]);
-  if (igroup == -1) error->all(FLERR,"Cannot find create_bonds group ID");
-  int group2bit = group->bitmask[igroup];
-
-  int btype = force->inumeric(FLERR,arg[2]);
-  double rmin = force->numeric(FLERR,arg[3]);
-  double rmax = force->numeric(FLERR,arg[4]);
-
-  if (btype <= 0 || btype > atom->nbondtypes)
-    error->all(FLERR,"Invalid bond type in create_bonds command");
-  if (rmin > rmax) error->all(FLERR,"Illegal create_bonds command");
+  int style;
+
+  int iarg;
+  if (strcmp(arg[0],"many") == 0) {
+    style = MANY;
+    if (narg != 6) error->all(FLERR,"Illegal create_bonds command");
+    igroup = group->find(arg[1]);
+    if (igroup == -1) error->all(FLERR,"Cannot find create_bonds group ID");
+    group1bit = group->bitmask[igroup];
+    igroup = group->find(arg[2]);
+    if (igroup == -1) error->all(FLERR,"Cannot find create_bonds group ID");
+    group2bit = group->bitmask[igroup];
+    btype = force->inumeric(FLERR,arg[3]);
+    rmin = force->numeric(FLERR,arg[4]);
+    rmax = force->numeric(FLERR,arg[5]);
+    if (rmin > rmax) error->all(FLERR,"Illegal create_bonds command");
+    iarg = 6;
+  } else if (strcmp(arg[0],"single/bond") == 0) {
+    style = SBOND;
+    if (narg < 4) error->all(FLERR,"Illegal create_bonds command");
+    btype = force->inumeric(FLERR,arg[1]);
+    batom1 = force->tnumeric(FLERR,arg[2]);
+    batom2 = force->tnumeric(FLERR,arg[3]);
+    iarg = 4;
+  } else if (strcmp(arg[0],"single/angle") == 0) {
+    style = SANGLE;
+    if (narg < 5) error->all(FLERR,"Illegal create_bonds command");
+    atype = force->inumeric(FLERR,arg[1]);
+    aatom1 = force->tnumeric(FLERR,arg[2]);
+    aatom2 = force->tnumeric(FLERR,arg[3]);
+    aatom3 = force->tnumeric(FLERR,arg[4]);
+    iarg = 5;
+  } else if (strcmp(arg[0],"single/dihedral") == 0) {
+    style = SDIHEDRAL;
+    if (narg < 6) error->all(FLERR,"Illegal create_bonds command");
+    dtype = force->inumeric(FLERR,arg[1]);
+    datom1 = force->tnumeric(FLERR,arg[2]);
+    datom2 = force->tnumeric(FLERR,arg[3]);
+    datom3 = force->tnumeric(FLERR,arg[4]);
+    datom4 = force->tnumeric(FLERR,arg[5]);
+    iarg = 6;
+  } else error->all(FLERR,"Illegal create_bonds command");
+
+  // optional args
+
+  int specialflag = 1;
+
+  while (iarg < narg) {
+    if (strcmp(arg[iarg],"special") == 0) {
+      if (iarg+2 > narg) error->all(FLERR,"Illegal create_bonds command");
+      if (strcmp(arg[iarg+1],"yes") == 0) specialflag = 1;
+      else if (strcmp(arg[iarg+1],"no") == 0) specialflag = 0;
+      else error->all(FLERR,"Illegal create_bonds command");
+      iarg += 2;
+    } else error->all(FLERR,"Illegal create_bonds command");
+  }
+
+  // error checks
+
+  if (style == MANY) {
+    if (btype <= 0 || btype > atom->nbondtypes)
+      error->all(FLERR,"Invalid bond type in create_bonds command");
+    if (specialflag == 0)
+      error->all(FLERR,"Cannot use special no with create_bonds many");
+  } else if (style == SBOND) {
+    if (btype <= 0 || btype > atom->nbondtypes)
+      error->all(FLERR,"Invalid bond type in create_bonds command");
+  } else if (style == SANGLE) {
+    if (atype <= 0 || atype > atom->nangletypes)
+      error->all(FLERR,"Invalid angle type in create_bonds command");
+  } else if (style == SDIHEDRAL) {
+    if (dtype <= 0 || dtype > atom->ndihedraltypes)
+      error->all(FLERR,"Invalid dihedral type in create_bonds command");
+  }
 
+  // invoke creation method
+
+  if (style == MANY) many();
+  else if (style == SBOND) single_bond();
+  else if (style == SANGLE) single_angle();
+  else if (style == SDIHEDRAL) single_dihedral();
+
+  // trigger special list build
+
+  if (specialflag) {
+    Special special(lmp);
+    special.build();
+  }
+}
+
+/* ---------------------------------------------------------------------- */
+
+void CreateBonds::many()
+{
   double rminsq = rmin*rmin;
   double rmaxsq = rmax*rmax;
 
@@ -221,9 +306,184 @@
               nadd_bonds,atom->nbonds);
     }
   }
+}
+
+/* ---------------------------------------------------------------------- */
+
+void CreateBonds::single_bond()
+{
+  int m;
+
+  // check that 2 atoms exist
+
+  int count = 0;
+  if (atom->map(batom1) >= 0) count++;
+  if (atom->map(batom2) >= 0) count++;
+
+  int allcount;
+  MPI_Allreduce(&count,&allcount,1,MPI_INT,MPI_SUM,world);
+  if (allcount != 2) 
+    error->all(FLERR,"Create_bonds single/bond atoms do not exist");
+
+  // create bond once or 2x if newton_bond set
+
+  int *num_bond = atom->num_bond;
+  int **bond_type = atom->bond_type;
+  tagint **bond_atom = atom->bond_atom;
+
+  if ((m = atom->map(batom1)) >= 0) {
+    if (num_bond[m] == atom->bond_per_atom)
+      error->one(FLERR,"New bond exceeded bonds per atom in create_bonds");
+    bond_type[m][num_bond[m]] = btype;
+    bond_atom[m][num_bond[m]] = batom2;
+    num_bond[m]++;
+  }
 
-  // re-trigger special list build
+  if (force->newton_bond) return;
 
-  Special special(lmp);
-  special.build();
+  if ((m = atom->map(batom2)) >= 0) {
+    if (num_bond[m] == atom->bond_per_atom)
+      error->one(FLERR,"New bond exceeded bonds per atom in create_bonds");
+    bond_type[m][num_bond[m]] = btype;
+    bond_atom[m][num_bond[m]] = batom1;
+    num_bond[m]++;
+  }
+}
+
+/* ---------------------------------------------------------------------- */
+
+void CreateBonds::single_angle()
+{
+  int m;
+
+  // check that 3 atoms exist
+
+  int count = 0;
+  if (atom->map(aatom1) >= 0) count++;
+  if (atom->map(aatom2) >= 0) count++;
+  if (atom->map(aatom3) >= 0) count++;
+
+  int allcount;
+  MPI_Allreduce(&count,&allcount,1,MPI_INT,MPI_SUM,world);
+  if (allcount != 3) 
+    error->all(FLERR,"Create_bonds single/angle atoms do not exist");
+
+  // create angle once or 3x if newton_bond set
+
+  int *num_angle = atom->num_angle;
+  int **angle_type = atom->angle_type;
+  tagint **angle_atom1 = atom->angle_atom1;
+  tagint **angle_atom2 = atom->angle_atom2;
+  tagint **angle_atom3 = atom->angle_atom3;
+
+  if ((m = atom->map(aatom2)) >= 0) {
+    if (num_angle[m] == atom->angle_per_atom)
+      error->one(FLERR,"New angle exceeded angles per atom in create_bonds");
+    angle_type[m][num_angle[m]] = atype;
+    angle_atom1[m][num_angle[m]] = aatom1;
+    angle_atom2[m][num_angle[m]] = aatom2;
+    angle_atom3[m][num_angle[m]] = aatom3;
+    num_angle[m]++;
+  }
+
+  if (force->newton_bond) return;
+
+  if ((m = atom->map(aatom1)) >= 0) {
+    if (num_angle[m] == atom->angle_per_atom)
+      error->one(FLERR,"New angle exceeded angles per atom in create_bonds");
+    angle_type[m][num_angle[m]] = atype;
+    angle_atom1[m][num_angle[m]] = aatom1;
+    angle_atom2[m][num_angle[m]] = aatom2;
+    angle_atom3[m][num_angle[m]] = aatom3;
+    num_angle[m]++;
+  }
+
+  if ((m = atom->map(aatom3)) >= 0) {
+    if (num_angle[m] == atom->angle_per_atom)
+      error->one(FLERR,"New angle exceeded angles per atom in create_bonds");
+    angle_type[m][num_angle[m]] = atype;
+    angle_atom1[m][num_angle[m]] = aatom1;
+    angle_atom2[m][num_angle[m]] = aatom2;
+    angle_atom3[m][num_angle[m]] = aatom3;
+    num_angle[m]++;
+  }
+}
+
+/* ---------------------------------------------------------------------- */
+
+void CreateBonds::single_dihedral()
+{
+  int m;
+
+  // check that 4 atoms exist
+
+  int count = 0;
+  if (atom->map(datom1) >= 0) count++;
+  if (atom->map(datom2) >= 0) count++;
+  if (atom->map(datom3) >= 0) count++;
+  if (atom->map(datom4) >= 0) count++;
+
+  int allcount;
+  MPI_Allreduce(&count,&allcount,1,MPI_INT,MPI_SUM,world);
+  if (allcount != 4) 
+    error->all(FLERR,"Create_bonds single/dihedral atoms do not exist");
+
+  // create bond once or 4x if newton_bond set
+
+  int *num_dihedral = atom->num_dihedral;
+  int **dihedral_type = atom->dihedral_type;
+  tagint **dihedral_atom1 = atom->dihedral_atom1;
+  tagint **dihedral_atom2 = atom->dihedral_atom2;
+  tagint **dihedral_atom3 = atom->dihedral_atom3;
+  tagint **dihedral_atom4 = atom->dihedral_atom4;
+
+  if ((m = atom->map(datom2)) >= 0) {
+    if (num_dihedral[m] == atom->dihedral_per_atom)
+      error->one(FLERR,
+                 "New dihedral exceeded dihedrals per atom in create_bonds");
+    dihedral_type[m][num_dihedral[m]] = dtype;
+    dihedral_atom1[m][num_dihedral[m]] = datom1;
+    dihedral_atom2[m][num_dihedral[m]] = datom2;
+    dihedral_atom3[m][num_dihedral[m]] = datom3;
+    dihedral_atom4[m][num_dihedral[m]] = datom4;
+    num_dihedral[m]++;
+  }
+
+  if (force->newton_bond) return;
+
+  if ((m = atom->map(datom1)) >= 0) {
+    if (num_dihedral[m] == atom->dihedral_per_atom)
+      error->one(FLERR,
+                 "New dihedral exceeded dihedrals per atom in create_bonds");
+    dihedral_type[m][num_dihedral[m]] = dtype;
+    dihedral_atom1[m][num_dihedral[m]] = datom1;
+    dihedral_atom2[m][num_dihedral[m]] = datom2;
+    dihedral_atom3[m][num_dihedral[m]] = datom3;
+    dihedral_atom4[m][num_dihedral[m]] = datom4;
+    num_dihedral[m]++;
+  }
+
+  if ((m = atom->map(datom3)) >= 0) {
+    if (num_dihedral[m] == atom->dihedral_per_atom)
+      error->one(FLERR,
+                 "New dihedral exceeded dihedrals per atom in create_bonds");
+    dihedral_type[m][num_dihedral[m]] = dtype;
+    dihedral_atom1[m][num_dihedral[m]] = datom1;
+    dihedral_atom2[m][num_dihedral[m]] = datom2;
+    dihedral_atom3[m][num_dihedral[m]] = datom3;
+    dihedral_atom4[m][num_dihedral[m]] = datom4;
+    num_dihedral[m]++;
+  }
+
+  if ((m = atom->map(datom4)) >= 0) {
+    if (num_dihedral[m] == atom->dihedral_per_atom)
+      error->one(FLERR,
+                 "New dihedral exceeded dihedrals per atom in create_bonds");
+    dihedral_type[m][num_dihedral[m]] = dtype;
+    dihedral_atom1[m][num_dihedral[m]] = datom1;
+    dihedral_atom2[m][num_dihedral[m]] = datom2;
+    dihedral_atom3[m][num_dihedral[m]] = datom3;
+    dihedral_atom4[m][num_dihedral[m]] = datom4;
+    num_dihedral[m]++;
+  }
 }
diff -Naur lammps-23Jun17/src/create_bonds.h lammps-6Jul17/src/create_bonds.h
--- lammps-23Jun17/src/create_bonds.h	2017-06-15 11:13:46.000000000 -0600
+++ lammps-6Jul17/src/create_bonds.h	2017-07-03 08:42:50.576833000 -0600
@@ -30,9 +30,15 @@
   void command(int, char **);
 
  private:
-  inline int sbmask(int j) const {
-    return j >> SBBITS & 3;
-  }
+  int igroup,group1bit,group2bit;
+  int btype,atype,dtype;
+  tagint batom1,batom2,aatom1,aatom2,aatom3,datom1,datom2,datom3,datom4;
+  double rmin,rmax;
+
+  void many();
+  void single_bond();
+  void single_angle();
+  void single_dihedral();
 };
 
 }
diff -Naur lammps-23Jun17/src/fix.cpp lammps-6Jul17/src/fix.cpp
--- lammps-23Jun17/src/fix.cpp	2017-03-22 18:33:14.000000000 -0600
+++ lammps-6Jul17/src/fix.cpp	2017-07-06 09:00:27.580802000 -0600
@@ -161,7 +161,7 @@
 /* ----------------------------------------------------------------------
    setup for energy, virial computation
    see integrate::ev_set() for values of eflag (0-3) and vflag (0-6)
-   fixes call this if use ev_tally()
+   fixes call this if they use ev_tally()
 ------------------------------------------------------------------------- */
 
 void Fix::ev_setup(int eflag, int vflag)
diff -Naur lammps-23Jun17/src/fix_external.cpp lammps-6Jul17/src/fix_external.cpp
--- lammps-23Jun17/src/fix_external.cpp	2017-03-20 13:35:00.000000000 -0600
+++ lammps-6Jul17/src/fix_external.cpp	2017-07-05 09:37:07.045748000 -0600
@@ -30,7 +30,7 @@
 
 FixExternal::FixExternal(LAMMPS *lmp, int narg, char **arg) :
   Fix(lmp, narg, arg),
-  fexternal(NULL)
+  fexternal(NULL), caller_vector(NULL)
 {
   if (narg < 4) error->all(FLERR,"Illegal fix external command");
 
@@ -62,6 +62,11 @@
   atom->add_callback(0);
 
   user_energy = 0.0;
+
+  // optional vector of values provided by caller
+  // vector_flag and size_vector are setup via set_vector_length()
+
+  caller_vector = NULL;
 }
 
 /* ---------------------------------------------------------------------- */
@@ -73,6 +78,7 @@
   atom->delete_callback(id,0);
 
   memory->destroy(fexternal);
+  delete [] caller_vector;
 }
 
 /* ---------------------------------------------------------------------- */
@@ -167,10 +173,15 @@
   post_force(vflag);
 }
 
+// ----------------------------------------------------------------------
+// "set" methods caller can invoke directly
+// ----------------------------------------------------------------------
+
 /* ----------------------------------------------------------------------
    caller invokes this method to set its contribution to global energy
-   do not just return if eflag_global is not set
-     input script could access this quantity via compute_scalar()
+   unlike other energy/virial set methods:
+     do not just return if eflag_global is not set
+     b/c input script could access this quantity via compute_scalar()
      even if eflag is not set on a particular timestep
 ------------------------------------------------------------------------- */
 
@@ -221,6 +232,34 @@
 }
 
 /* ----------------------------------------------------------------------
+   caller invokes this method to set length of vector of values
+   assume all vector values are extensive, could make this an option
+------------------------------------------------------------------------- */
+
+void FixExternal::set_vector_length(int n)
+{
+  delete [] caller_vector;
+
+  vector_flag = 1;
+  size_vector = n;
+  extvector = 1;
+
+  caller_vector = new double[n];
+}
+
+/* ----------------------------------------------------------------------
+   caller invokes this method to set Index value in vector
+   index ranges from 1 to N inclusive
+------------------------------------------------------------------------- */
+
+void FixExternal::set_vector(int index, double value)
+{
+  if (index >= size_vector)
+    error->all(FLERR,"Invalid set_vector index in fix external");
+  caller_vector[index-1] = value;
+}
+
+/* ----------------------------------------------------------------------
    potential energy of added force
    up to user to set it via set_energy()
 ------------------------------------------------------------------------- */
@@ -231,6 +270,16 @@
 }
 
 /* ----------------------------------------------------------------------
+   arbitrary value computed by caller
+   up to user to set it via set_vector()
+------------------------------------------------------------------------- */
+
+double FixExternal::compute_vector(int n)
+{
+  return caller_vector[n];
+}
+
+/* ----------------------------------------------------------------------
    memory usage of local atom-based array
 ------------------------------------------------------------------------- */
 
diff -Naur lammps-23Jun17/src/fix_external.h lammps-6Jul17/src/fix_external.h
--- lammps-23Jun17/src/fix_external.h	2017-03-20 13:35:00.000000000 -0600
+++ lammps-6Jul17/src/fix_external.h	2017-07-05 09:37:07.045748000 -0600
@@ -39,11 +39,14 @@
   void post_force(int);
   void min_post_force(int);
   double compute_scalar();
+  double compute_vector(int);
 
   void set_energy_global(double);
   void set_virial_global(double *);
   void set_energy_peratom(double *);
   void set_virial_peratom(double **);
+  void set_vector_length(int);
+  void set_vector(int,double);
 
   double memory_usage();
   void grow_arrays(int);
@@ -59,6 +62,7 @@
   FnPtr callback;
   void *ptr_caller;
   double user_energy;
+  double *caller_vector;
 };
 
 }
diff -Naur lammps-23Jun17/src/info.cpp lammps-6Jul17/src/info.cpp
--- lammps-23Jun17/src/info.cpp	2017-03-17 11:19:47.000000000 -0600
+++ lammps-6Jul17/src/info.cpp	2017-06-30 11:28:55.169850000 -0600
@@ -1,5 +1,4 @@
 /* ----------------------------------------------------------------------
-  fputs
    LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
    http://lammps.sandia.gov, Sandia National Laboratories
    Steve Plimpton, sjplimp@sandia.gov
diff -Naur lammps-23Jun17/src/math_special.cpp lammps-6Jul17/src/math_special.cpp
--- lammps-23Jun17/src/math_special.cpp	2016-11-09 15:35:41.000000000 -0700
+++ lammps-6Jul17/src/math_special.cpp	2017-07-03 12:30:34.524715000 -0600
@@ -508,6 +508,9 @@
     1.51390680115615096133e3
 };
 
+/* double precision constants */
+#define FM_DOUBLE_LOG2OFE  1.4426950408889634074
+
 double MathSpecial::exp2_x86(double x)
 {
     double   ipart, fpart, px, qx;
@@ -531,3 +534,14 @@
     x = 1.0 + 2.0*(px/(qx-px));
     return epart.f*x;
 }
+
+double MathSpecial::fm_exp(double x)
+{
+#if defined(__BYTE_ORDER__)
+#if __BYTE_ORDER__ == __ORDER_LITTLE_ENDIAN__
+    return exp2_x86(FM_DOUBLE_LOG2OFE * x);
+#endif
+#endif
+    return ::exp(x);
+}
+
diff -Naur lammps-23Jun17/src/math_special.h lammps-6Jul17/src/math_special.h
--- lammps-23Jun17/src/math_special.h	2017-01-26 13:54:58.000000000 -0700
+++ lammps-6Jul17/src/math_special.h	2017-07-03 12:30:34.524715000 -0600
@@ -27,6 +27,9 @@
   // fast 2**x function without argument checks for little endian CPUs
   extern double exp2_x86(double x);
 
+// fast e**x function for little endian CPUs, falls back to libc on other platforms
+  extern double fm_exp(double x);
+
   // scaled error function complement exp(x*x)*erfc(x) for coul/long styles
 
   static inline double my_erfcx(const double x)
diff -Naur lammps-23Jun17/src/modify.cpp lammps-6Jul17/src/modify.cpp
--- lammps-23Jun17/src/modify.cpp	2017-06-15 09:50:15.000000000 -0600
+++ lammps-6Jul17/src/modify.cpp	2017-07-06 09:00:27.580802000 -0600
@@ -996,7 +996,6 @@
   return 1;
 }
 
-
 /* ----------------------------------------------------------------------
    check if the group indicated by groupbit overlaps with any
    currently existing rigid fixes. return 1 in this case otherwise 0
@@ -1067,7 +1066,6 @@
 
 int Modify::check_rigid_list_overlap(int *select)
 {
-  const int * const mask = atom->mask;
   const int nlocal = atom->nlocal;
   int dim;
 
diff -Naur lammps-23Jun17/src/molecule.cpp lammps-6Jul17/src/molecule.cpp
--- lammps-23Jun17/src/molecule.cpp	2017-03-07 09:48:20.000000000 -0700
+++ lammps-6Jul17/src/molecule.cpp	2017-06-30 11:28:55.169850000 -0600
@@ -219,7 +219,7 @@
   if (massflag) return;
   massflag = 1;
 
-  if (!rmassflag) atom->check_mass(FLERR);
+  atom->check_mass(FLERR);
 
   masstotal = 0.0;
   for (int i = 0; i < natoms; i++) {
@@ -243,7 +243,7 @@
   if (!comflag) {
     comflag = 1;
 
-    if (!rmassflag) atom->check_mass(FLERR);
+    atom->check_mass(FLERR);
 
     double onemass;
     com[0] = com[1] = com[2] = 0.0;
@@ -308,7 +308,7 @@
   if (!inertiaflag) {
     inertiaflag = 1;
 
-    if (!rmassflag) atom->check_mass(FLERR);
+    atom->check_mass(FLERR);
 
     double onemass,dx,dy,dz;
     for (int i = 0; i < 6; i++) itensor[i] = 0.0;
diff -Naur lammps-23Jun17/src/neigh_list.cpp lammps-6Jul17/src/neigh_list.cpp
--- lammps-23Jun17/src/neigh_list.cpp	2017-02-21 15:54:02.000000000 -0700
+++ lammps-6Jul17/src/neigh_list.cpp	2017-06-30 11:28:55.169850000 -0600
@@ -48,6 +48,7 @@
   ghost = 0;
   ssa = 0;
   copy = 0;
+  copymode = 0;
   dnum = 0;
 
   // ptrs
@@ -85,6 +86,7 @@
 
 NeighList::~NeighList()
 {
+  if (copymode) return;
   if (!copy) {
     memory->destroy(ilist);
     memory->destroy(numneigh);
diff -Naur lammps-23Jun17/src/neigh_list.h lammps-6Jul17/src/neigh_list.h
--- lammps-23Jun17/src/neigh_list.h	2017-02-13 15:01:06.000000000 -0700
+++ lammps-6Jul17/src/neigh_list.h	2017-06-30 11:28:55.169850000 -0600
@@ -34,7 +34,8 @@
   int occasional;                  // 0 if build every reneighbor, 1 if not
   int ghost;                       // 1 if list stores neighbors of ghosts
   int ssa;                         // 1 if list stores Shardlow data
-  int copy;                        // 1 if this list copied from another list
+  int copy;                        // 1 if this list is (host) copied from another list
+  int copymode;                    // 1 if this is a Kokkos on-device copy
   int dnum;                        // # of doubles per neighbor, 0 if none
 
   // data structs to store neighbor pairs I,J and associated values
diff -Naur lammps-23Jun17/src/read_data.cpp lammps-6Jul17/src/read_data.cpp
--- lammps-23Jun17/src/read_data.cpp	2016-11-04 11:01:14.000000000 -0600
+++ lammps-6Jul17/src/read_data.cpp	2017-06-30 11:52:01.504843000 -0600
@@ -211,13 +211,51 @@
       if (extra_improper_types < 0)
         error->all(FLERR,"Illegal read_data command");
       iarg += 2;
-
+    } else if (strcmp(arg[iarg],"extra/bond/per/atom") == 0) {
+      if (iarg+2 > narg) error->all(FLERR,"Illegal read_data command");
+      if (! atom->molecular)
+        error->all(FLERR,"No bonds allowed with this atom style");
+      atom->extra_bond_per_atom = force->inumeric(FLERR,arg[iarg+1]);
+      if (atom->extra_bond_per_atom < 0)
+        error->all(FLERR,"Illegal read_data command");
+      iarg += 2;
+    } else if (strcmp(arg[iarg],"extra/angle/per/atom") == 0) {
+      if (iarg+2 > narg) error->all(FLERR,"Illegal read_data command");
+      if (! atom->molecular)
+        error->all(FLERR,"No angles allowed with this atom style");
+      atom->extra_angle_per_atom = force->inumeric(FLERR,arg[iarg+1]);
+      if (atom->extra_angle_per_atom < 0)
+        error->all(FLERR,"Illegal read_data command");
+      iarg += 2;
+    } else if (strcmp(arg[iarg],"extra/dihedral/per/atom") == 0) {
+      if (iarg+2 > narg) error->all(FLERR,"Illegal read_data command");
+      if (! atom->molecular)
+        error->all(FLERR,"No dihedrals allowed with this atom style");
+      atom->extra_dihedral_per_atom = force->inumeric(FLERR,arg[iarg+1]);
+      if (atom->extra_dihedral_per_atom < 0)
+        error->all(FLERR,"Illegal read_data command");
+      iarg += 2;
+    } else if (strcmp(arg[iarg],"extra/improper/per/atom") == 0) {
+      if (iarg+2 > narg) error->all(FLERR,"Illegal read_data command");
+      if (! atom->molecular)
+        error->all(FLERR,"No impropers allowed with this atom style");
+      atom->extra_improper_per_atom = force->inumeric(FLERR,arg[iarg+1]);
+      if (atom->extra_improper_per_atom < 0)
+        error->all(FLERR,"Illegal read_data command");
+      iarg += 2;
+    } else if (strcmp(arg[iarg],"extra/special/per/atom") == 0) {
+      if (iarg+2 > narg) error->all(FLERR,"Illegal read_data command");
+      if (! atom->molecular)
+        error->all(FLERR,"No bonded interactions allowed with this atom style");
+      force->special_extra = force->inumeric(FLERR,arg[iarg+1]);
+      if (force->special_extra < 0)
+        error->all(FLERR,"Illegal read_data command");
+      iarg += 2;
     } else if (strcmp(arg[iarg],"group") == 0) {
       if (iarg+2 > narg) error->all(FLERR,"Illegal read_data command");
       int igroup = group->find_or_create(arg[iarg+1]);
       groupbit = group->bitmask[igroup];
       iarg += 2;
-
     } else if (strcmp(arg[iarg],"fix") == 0) {
       if (iarg+4 > narg)
         error->all(FLERR,"Illegal read_data command");
@@ -930,6 +968,7 @@
     // search line for header keyword and set corresponding variable
     // customize for new header lines
     // check for triangles before angles so "triangles" not matched as "angles"
+    int extra_flag_value = 0;
 
     if (strstr(line,"atoms")) {
       sscanf(line,BIGINT_FORMAT,&natoms);
@@ -991,17 +1030,26 @@
         atom->nimpropertypes = nimpropertypes + extra_improper_types;
 
     // these settings only used by first data file
+    // also, these are obsolescent. we parse them to maintain backward
+    // compatibility, but the recommended way is to set them via keywords
+    // in the LAMMPS input file. In case these flags are set in both,
+    // the input and the data file, we use the larger of the two.
 
     } else if (strstr(line,"extra bond per atom")) {
-      if (addflag == NONE) sscanf(line,"%d",&atom->extra_bond_per_atom);
+      if (addflag == NONE) sscanf(line,"%d",&extra_flag_value);
+      atom->extra_bond_per_atom = MAX(atom->extra_bond_per_atom,extra_flag_value);
     } else if (strstr(line,"extra angle per atom")) {
-      if (addflag == NONE) sscanf(line,"%d",&atom->extra_angle_per_atom);
+      if (addflag == NONE) sscanf(line,"%d",&extra_flag_value);
+      atom->extra_angle_per_atom = MAX(atom->extra_angle_per_atom,extra_flag_value);
     } else if (strstr(line,"extra dihedral per atom")) {
-      if (addflag == NONE) sscanf(line,"%d",&atom->extra_dihedral_per_atom);
+      if (addflag == NONE) sscanf(line,"%d",&extra_flag_value);
+      atom->extra_dihedral_per_atom = MAX(atom->extra_dihedral_per_atom,extra_flag_value);
     } else if (strstr(line,"extra improper per atom")) {
-      if (addflag == NONE) sscanf(line,"%d",&atom->extra_improper_per_atom);
+      if (addflag == NONE) sscanf(line,"%d",&extra_flag_value);
+      atom->extra_improper_per_atom = MAX(atom->extra_improper_per_atom,extra_flag_value);
     } else if (strstr(line,"extra special per atom")) {
-      if (addflag == NONE) sscanf(line,"%d",&force->special_extra);
+      if (addflag == NONE) sscanf(line,"%d",&extra_flag_value);
+      force->special_extra = MAX(force->special_extra,extra_flag_value);
 
     // local copy of box info
     // so can treat differently for first vs subsequent data files
diff -Naur lammps-23Jun17/src/read_data.h lammps-6Jul17/src/read_data.h
--- lammps-23Jun17/src/read_data.h	2016-04-22 11:54:49.000000000 -0600
+++ lammps-6Jul17/src/read_data.h	2017-06-30 11:52:01.504843000 -0600
@@ -472,8 +472,8 @@
 
 E: Subsequent read data induced too many bonds per atom
 
-See the create_box extra/bond/per/atom or read_data "extra bond per
-atom" header value to set this limit larger.
+See the extra/bond/per/atom keyword for the create_box
+or the read_data command to set this limit larger.
 
 E: Bonds assigned incorrectly
 
@@ -482,8 +482,8 @@
 
 E: Subsequent read data induced too many angles per atom
 
-See the create_box extra/angle/per/atom or read_data "extra angle per
-atom" header value to set this limit larger.
+See the extra/angle/per/atom keyword for the create_box
+or the read_data command to set this limit larger.
 
 E: Angles assigned incorrectly
 
@@ -493,8 +493,8 @@
 
 E: Subsequent read data induced too many dihedrals per atom
 
-See the create_box extra/dihedral/per/atom or read_data "extra
-dihedral per atom" header value to set this limit larger.
+See the extra/dihedral/per/atom keyword for the create_box
+or the read_data command to set this limit larger.
 
 E: Dihedrals assigned incorrectly
 
@@ -504,8 +504,8 @@
 
 E: Subsequent read data induced too many impropers per atom
 
-See the create_box extra/improper/per/atom or read_data "extra
-improper per atom" header value to set this limit larger.
+See the extra/improper/per/atom keyword for the create_box
+or the read_data command to set this limit larger.
 
 E: Impropers assigned incorrectly
 
diff -Naur lammps-23Jun17/src/version.h lammps-6Jul17/src/version.h
--- lammps-23Jun17/src/version.h	2017-06-23 16:55:06.000000000 -0600
+++ lammps-6Jul17/src/version.h	2017-07-06 12:56:10.920977000 -0600
@@ -1 +1 @@
-#define LAMMPS_VERSION "23 Jun 2017"
+#define LAMMPS_VERSION "6 Jul 2017"