diff -Naur lammps-31Mar17/doc/html/.buildinfo lammps-11Apr17/doc/html/.buildinfo
--- lammps-31Mar17/doc/html/.buildinfo	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/.buildinfo	2017-04-11 09:01:35.421390814 -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: 04b0521f42a6cb27db8bfaacdd5dd458
+config: 3722af5f9f8753fa9808168a61b29dec
 tags: 645f666f9bcd5a90fca523b33c5a78b7
diff -Naur lammps-31Mar17/doc/html/Manual.html lammps-11Apr17/doc/html/Manual.html
--- lammps-31Mar17/doc/html/Manual.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/Manual.html	2017-04-11 09:01:35.453391764 -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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 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="mar-2017-version">
-<h2>31 Mar 2017 version</h2>
+<div class="section" id="apr-2017-version">
+<h2>11 Apr 2017 version</h2>
 </div>
 <div class="section" id="version-info">
 <h2>Version info:</h2>
diff -Naur lammps-31Mar17/doc/html/Section_accelerate.html lammps-11Apr17/doc/html/Section_accelerate.html
--- lammps-31Mar17/doc/html/Section_accelerate.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/Section_accelerate.html	2017-04-11 09:01:35.460391970 -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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-31Mar17/doc/html/Section_commands.html lammps-11Apr17/doc/html/Section_commands.html
--- lammps-31Mar17/doc/html/Section_commands.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/Section_commands.html	2017-04-11 09:01:35.438391317 -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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
@@ -1503,7 +1503,7 @@
 <td><a class="reference internal" href="dihedral_hybrid.html"><em>hybrid</em></a></td>
 <td><a class="reference internal" href="dihedral_charmm.html"><em>charmm (ko)</em></a></td>
 </tr>
-<tr class="row-even"><td><a class="reference internal" href="dihedral_charmm.html"><em>charmmfsh</em></a></td>
+<tr class="row-even"><td><a class="reference internal" href="dihedral_charmm.html"><em>charmmfsw</em></a></td>
 <td><a class="reference internal" href="dihedral_class2.html"><em>class2 (ko)</em></a></td>
 <td><a class="reference internal" href="dihedral_harmonic.html"><em>harmonic (io)</em></a></td>
 <td><a class="reference internal" href="dihedral_helix.html"><em>helix (o)</em></a></td>
diff -Naur lammps-31Mar17/doc/html/Section_errors.html lammps-11Apr17/doc/html/Section_errors.html
--- lammps-31Mar17/doc/html/Section_errors.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/Section_errors.html	2017-04-11 09:01:35.427390990 -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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-31Mar17/doc/html/Section_example.html lammps-11Apr17/doc/html/Section_example.html
--- lammps-31Mar17/doc/html/Section_example.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/Section_example.html	2017-04-11 09:01:35.461392000 -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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-31Mar17/doc/html/Section_history.html lammps-11Apr17/doc/html/Section_history.html
--- lammps-31Mar17/doc/html/Section_history.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/Section_history.html	2017-04-11 09:01:35.427390990 -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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-31Mar17/doc/html/Section_howto.html lammps-11Apr17/doc/html/Section_howto.html
--- lammps-31Mar17/doc/html/Section_howto.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/Section_howto.html	2017-04-11 09:01:35.430391081 -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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
   <ul class="wy-breadcrumbs">
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@@ -394,7 +394,7 @@
 </ul>
 <div class="admonition note">
 <p class="first admonition-title">Note</p>
-<p class="last">For CHARMM, the newer <em>charmmfsw</em> or <em>charmmfsh</em> styles were
+<p class="last">For CHARMM, newer <em>charmmfsw</em> or <em>charmmfsh</em> styles were
 released in March 2017.  We recommend they be used instead of the
 older <em>charmm</em> styles.  See discussion of the differences on the <a class="reference internal" href="pair_charmm.html"><em>pair charmm</em></a> and <a class="reference internal" href="dihedral_charmm.html"><em>dihedral charmm</em></a>
 doc pages.</p>
diff -Naur lammps-31Mar17/doc/html/Section_intro.html lammps-11Apr17/doc/html/Section_intro.html
--- lammps-31Mar17/doc/html/Section_intro.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/Section_intro.html	2017-04-11 09:01:35.436391257 -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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-31Mar17/doc/html/Section_modify.html lammps-11Apr17/doc/html/Section_modify.html
--- lammps-31Mar17/doc/html/Section_modify.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/Section_modify.html	2017-04-11 09:01:35.454391794 -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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-31Mar17/doc/html/Section_packages.html lammps-11Apr17/doc/html/Section_packages.html
--- lammps-31Mar17/doc/html/Section_packages.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/Section_packages.html	2017-04-11 09:01:35.453391764 -0600
@@ -188,7 +188,7 @@
       <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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
   <ul class="wy-breadcrumbs">
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@@ -2068,8 +2068,8 @@
 <li><a class="reference internal" href="fix_nve_dotc_langevin.html"><em>fix nve/dotc/langevin</em></a></li>
 </ul>
 <p>Supporting info: /src/USER-CGDNA/README, <a class="reference internal" href="bond_oxdna.html"><em>bond_style oxdna/fene</em></a>, <a class="reference internal" href="bond_oxdna.html"><em>bond_style oxdna2/fene</em></a>, <a class="reference internal" href="pair_oxdna.html"><em>pair_style oxdna/...</em></a>, <a class="reference internal" href="pair_oxdna2.html"><em>pair_style oxdna2/...</em></a>, <a class="reference internal" href="fix_nve_dotc_langevin.html"><em>fix nve/dotc/langevin</em></a></p>
-<p>Author: Oliver Henrich at the University of Strathclyde, Glasgow, UK and
-University of Edinburgh (<a class="reference external" href="mailto:ohenrich&#37;&#52;&#48;ph&#46;ed&#46;ac&#46;uk">ohenrich<span>&#64;</span>ph<span>&#46;</span>ed<span>&#46;</span>ac<span>&#46;</span>uk</a>).
+<p>Author: Oliver Henrich at the University of Strathclyde, Glasgow
+(oliver.henrich at strath.ac.uk, also ohenrich at ph.ed.ac.uk).
 Contact him directly if you have any questions.</p>
 <hr class="docutils" />
 </div>
diff -Naur lammps-31Mar17/doc/html/Section_perf.html lammps-11Apr17/doc/html/Section_perf.html
--- lammps-31Mar17/doc/html/Section_perf.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/Section_perf.html	2017-04-11 09:01:35.428391021 -0600
@@ -121,7 +121,7 @@
       <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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-31Mar17/doc/html/Section_python.html lammps-11Apr17/doc/html/Section_python.html
--- lammps-31Mar17/doc/html/Section_python.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/Section_python.html	2017-04-11 09:01:35.457391881 -0600
@@ -137,7 +137,7 @@
       <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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-31Mar17/doc/html/Section_start.html lammps-11Apr17/doc/html/Section_start.html
--- lammps-31Mar17/doc/html/Section_start.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/Section_start.html	2017-04-11 09:01:35.435391228 -0600
@@ -168,7 +168,7 @@
       <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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
   <ul class="wy-breadcrumbs">
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@@ -626,8 +626,7 @@
 truncation errors and thus do not always need to be performed in
 double precision.  Using the -DFFT_SINGLE setting trades off a little
 accuracy for reduced memory use and parallel communication costs for
-transposing 3d FFT data.  Note that single precision FFTs have only
-been tested with the FFTW3, FFTW2, MKL, and KISS FFT options.</p>
+transposing 3d FFT data.</p>
 </div>
 <div class="section" id="step-7">
 <h4>2.2.2.8. Step 7</h4>
diff -Naur lammps-31Mar17/doc/html/Section_tools.html lammps-11Apr17/doc/html/Section_tools.html
--- lammps-31Mar17/doc/html/Section_tools.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/Section_tools.html	2017-04-11 09:01:35.434391199 -0600
@@ -152,7 +152,7 @@
       <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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-31Mar17/doc/html/accelerate_gpu.html lammps-11Apr17/doc/html/accelerate_gpu.html
--- lammps-31Mar17/doc/html/accelerate_gpu.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/accelerate_gpu.html	2017-04-11 09:01:35.437391287 -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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-31Mar17/doc/html/accelerate_intel.html lammps-11Apr17/doc/html/accelerate_intel.html
--- lammps-31Mar17/doc/html/accelerate_intel.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/accelerate_intel.html	2017-04-11 09:01:35.477392474 -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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
   <ul class="wy-breadcrumbs">
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diff -Naur lammps-31Mar17/doc/html/accelerate_kokkos.html lammps-11Apr17/doc/html/accelerate_kokkos.html
--- lammps-31Mar17/doc/html/accelerate_kokkos.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/accelerate_kokkos.html	2017-04-11 09:01:35.436391257 -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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
   <ul class="wy-breadcrumbs">
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diff -Naur lammps-31Mar17/doc/html/accelerate_omp.html lammps-11Apr17/doc/html/accelerate_omp.html
--- lammps-31Mar17/doc/html/accelerate_omp.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/accelerate_omp.html	2017-04-11 09:01:35.456391852 -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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
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diff -Naur lammps-31Mar17/doc/html/accelerate_opt.html lammps-11Apr17/doc/html/accelerate_opt.html
--- lammps-31Mar17/doc/html/accelerate_opt.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/accelerate_opt.html	2017-04-11 09:01:35.475392415 -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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-31Mar17/doc/html/angle_charmm.html lammps-11Apr17/doc/html/angle_charmm.html
--- lammps-31Mar17/doc/html/angle_charmm.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/angle_charmm.html	2017-04-11 09:01:35.474392386 -0600
@@ -168,7 +168,7 @@
       <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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
   <ul class="wy-breadcrumbs">
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diff -Naur lammps-31Mar17/doc/html/angle_class2.html lammps-11Apr17/doc/html/angle_class2.html
--- lammps-31Mar17/doc/html/angle_class2.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/angle_class2.html	2017-04-11 09:01:35.440391377 -0600
@@ -168,7 +168,7 @@
       <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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
   <ul class="wy-breadcrumbs">
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diff -Naur lammps-31Mar17/doc/html/angle_coeff.html lammps-11Apr17/doc/html/angle_coeff.html
--- lammps-31Mar17/doc/html/angle_coeff.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/angle_coeff.html	2017-04-11 09:01:35.456391852 -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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
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diff -Naur lammps-31Mar17/doc/html/angle_cosine.html lammps-11Apr17/doc/html/angle_cosine.html
--- lammps-31Mar17/doc/html/angle_cosine.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/angles.html lammps-11Apr17/doc/html/angles.html
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diff -Naur lammps-31Mar17/doc/html/balance.html lammps-11Apr17/doc/html/balance.html
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diff -Naur lammps-31Mar17/doc/html/bond_class2.html lammps-11Apr17/doc/html/bond_class2.html
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diff -Naur lammps-31Mar17/doc/html/bond_fene_expand.html lammps-11Apr17/doc/html/bond_fene_expand.html
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diff -Naur lammps-31Mar17/doc/html/bond_harmonic.html lammps-11Apr17/doc/html/bond_harmonic.html
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 for excluded volume interaction <em>oxdna/excv</em>, stacking <em>oxdna/stk</em>, cross-stacking <em>oxdna/xstk</em>
 and coaxial stacking interaction <em>oxdna/coaxstk</em> as well as hydrogen-bonding interaction <em>oxdna/hbond</em> (see also documentation of
 <a class="reference internal" href="pair_oxdna.html"><em>pair_style oxdna/excv</em></a>). For the oxDNA2 <a class="reference internal" href="#oxdna2"><span>(Snodin)</span></a> bond style the analogous pair styles and an additional Debye-Hueckel pair
-style <em>oxdna2/dh</em> have to be defined.</p>
+style <em>oxdna2/dh</em> have to be defined.
+The coefficients in the above example have to be kept fixed and cannot be changed without reparametrizing the entire model.</p>
 </div>
-<p>The coefficients
-in the above example have to be kept fixed and cannot be changed without reparametrizing the entire model.</p>
 <p>Example input and data files for DNA duplexes can be found in examples/USER/cgdna/examples/oxDNA/ and /oxDNA2/.
 A simple python setup tool which creates single straight or helical DNA strands,
 DNA duplexes or arrays of DNA duplexes can be found in examples/USER/cgdna/util/.
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--- lammps-31Mar17/doc/html/compute_displace_atom.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/compute_erotate_asphere.html lammps-11Apr17/doc/html/compute_erotate_asphere.html
--- lammps-31Mar17/doc/html/compute_erotate_asphere.html	2017-03-30 09:53:27.000000000 -0600
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--- lammps-31Mar17/doc/html/compute_erotate_rigid.html	2017-03-30 09:53:27.000000000 -0600
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--- lammps-31Mar17/doc/html/compute_erotate_sphere.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/compute_fep.html lammps-11Apr17/doc/html/compute_fep.html
--- lammps-31Mar17/doc/html/compute_fep.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/compute_plasticity_atom.html lammps-11Apr17/doc/html/compute_plasticity_atom.html
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--- lammps-31Mar17/doc/html/compute_smd_contact_radius.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/compute_smd_tlsph_num_neighs.html lammps-11Apr17/doc/html/compute_smd_tlsph_num_neighs.html
--- lammps-31Mar17/doc/html/compute_smd_tlsph_num_neighs.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/compute_smd_triangle_mesh_vertices.html lammps-11Apr17/doc/html/compute_smd_triangle_mesh_vertices.html
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--- lammps-31Mar17/doc/html/compute_smd_ulsph_num_neighs.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/compute_vacf.html lammps-11Apr17/doc/html/compute_vacf.html
--- lammps-31Mar17/doc/html/compute_vacf.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/compute_vacf.html	2017-04-11 09:01:35.430391081 -0600
@@ -251,7 +251,7 @@
       <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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
   <ul class="wy-breadcrumbs">
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diff -Naur lammps-31Mar17/doc/html/compute_vcm_chunk.html lammps-11Apr17/doc/html/compute_vcm_chunk.html
--- lammps-31Mar17/doc/html/compute_vcm_chunk.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/compute_vcm_chunk.html	2017-04-11 09:01:35.427390990 -0600
@@ -250,7 +250,7 @@
       <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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-31Mar17/doc/html/compute_voronoi_atom.html lammps-11Apr17/doc/html/compute_voronoi_atom.html
--- lammps-31Mar17/doc/html/compute_voronoi_atom.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/compute_voronoi_atom.html	2017-04-11 09:01:35.438391317 -0600
@@ -251,7 +251,7 @@
       <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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
   <ul class="wy-breadcrumbs">
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diff -Naur lammps-31Mar17/doc/html/compute_xrd.html lammps-11Apr17/doc/html/compute_xrd.html
--- lammps-31Mar17/doc/html/compute_xrd.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/compute_xrd.html	2017-04-11 09:01:35.477392474 -0600
@@ -252,7 +252,7 @@
       <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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-31Mar17/doc/html/computes.html lammps-11Apr17/doc/html/computes.html
--- lammps-31Mar17/doc/html/computes.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/computes.html	2017-04-11 09:01:35.434391199 -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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-31Mar17/doc/html/create_atoms.html lammps-11Apr17/doc/html/create_atoms.html
--- lammps-31Mar17/doc/html/create_atoms.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/create_atoms.html	2017-04-11 09:01:35.461392000 -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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-31Mar17/doc/html/create_bonds.html lammps-11Apr17/doc/html/create_bonds.html
--- lammps-31Mar17/doc/html/create_bonds.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/create_bonds.html	2017-04-11 09:01:35.432391141 -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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-31Mar17/doc/html/create_box.html lammps-11Apr17/doc/html/create_box.html
--- lammps-31Mar17/doc/html/create_box.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/create_box.html	2017-04-11 09:01:35.433391170 -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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-31Mar17/doc/html/delete_atoms.html lammps-11Apr17/doc/html/delete_atoms.html
--- lammps-31Mar17/doc/html/delete_atoms.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/delete_atoms.html	2017-04-11 09:01:35.460391970 -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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-31Mar17/doc/html/delete_bonds.html lammps-11Apr17/doc/html/delete_bonds.html
--- lammps-31Mar17/doc/html/delete_bonds.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/delete_bonds.html	2017-04-11 09:01:35.454391794 -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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
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diff -Naur lammps-31Mar17/doc/html/dielectric.html lammps-11Apr17/doc/html/dielectric.html
--- lammps-31Mar17/doc/html/dielectric.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/dielectric.html	2017-04-11 09:01:35.455391823 -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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
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diff -Naur lammps-31Mar17/doc/html/dihedral_charmm.html lammps-11Apr17/doc/html/dihedral_charmm.html
--- lammps-31Mar17/doc/html/dihedral_charmm.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/dihedral_charmm.html	2017-04-11 09:01:35.431391111 -0600
@@ -104,7 +104,7 @@
 <li class="toctree-l2"><a class="reference internal" href="#dihedral-style-charmm-intel-command">dihedral_style charmm/intel command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="#dihedral-style-charmm-kk-command">dihedral_style charmm/kk command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="#dihedral-style-charmm-omp-command">dihedral_style charmm/omp command</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#dihedral-style-charmmfsh-command">dihedral_style charmmfsh command</a><ul>
+<li class="toctree-l2"><a class="reference internal" href="#dihedral-style-charmmfsw-command">dihedral_style charmmfsw 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>
@@ -144,7 +144,7 @@
 <li class="toctree-l2"><a class="reference internal" href="#dihedral-style-charmm-intel-command">dihedral_style charmm/intel command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="#dihedral-style-charmm-kk-command">dihedral_style charmm/kk command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="#dihedral-style-charmm-omp-command">dihedral_style charmm/omp command</a></li>
-<li class="toctree-l2"><a class="reference internal" href="#dihedral-style-charmmfsh-command">dihedral_style charmmfsh command</a><ul>
+<li class="toctree-l2"><a class="reference internal" href="#dihedral-style-charmmfsw-command">dihedral_style charmmfsw 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>
@@ -204,7 +204,7 @@
       <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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
@@ -246,21 +246,21 @@
 <div class="section" id="dihedral-style-charmm-omp-command">
 <h1>dihedral_style charmm/omp command</h1>
 </div>
-<div class="section" id="dihedral-style-charmmfsh-command">
-<h1>dihedral_style charmmfsh command</h1>
+<div class="section" id="dihedral-style-charmmfsw-command">
+<h1>dihedral_style charmmfsw command</h1>
 <div class="section" id="syntax">
 <h2>Syntax</h2>
 <div class="highlight-python"><div class="highlight"><pre>dihedral_style style
 </pre></div>
 </div>
 <ul class="simple">
-<li>style = <em>charmm</em> or <em>charmmfsh</em></li>
+<li>style = <em>charmm</em> or <em>charmmfsw</em></li>
 </ul>
 </div>
 <div class="section" id="examples">
 <h2>Examples</h2>
 <div class="highlight-python"><div class="highlight"><pre>dihedral_style charmm
-dihedral_style charmmfsh
+dihedral_style charmmfsw
 dihedral_coeff  1 0.2 1 180 1.0
 dihedral_coeff  2 1.8 1   0 1.0
 dihedral_coeff  1 3.1 2 180 0.5
@@ -269,7 +269,7 @@
 </div>
 <div class="section" id="description">
 <h2>Description</h2>
-<p>The <em>charmm</em> and <em>charmmfsh</em> dihedral styles use the potential</p>
+<p>The <em>charmm</em> and <em>charmmfsw</em> dihedral styles use the potential</p>
 <img alt="_images/dihedral_charmm.jpg" class="align-center" src="_images/dihedral_charmm.jpg" />
 <p>See <a class="reference internal" href="#dihedral-mackerell"><span>(MacKerell)</span></a> for a description of the CHARMM
 force field.  This dihedral style can also be used for the AMBER force
@@ -278,10 +278,10 @@
 field.</p>
 <div class="admonition note">
 <p class="first admonition-title">Note</p>
-<p class="last">The newer <em>charmmfsh</em> style was released in March 2017.  We
+<p class="last">The newer <em>charmmfsw</em> style was released in March 2017.  We
 recommend it be used instead of the older <em>charmm</em> style when running
-a simulation with the CHARMM force field and Coulomb cutoffs, via the
-<a class="reference internal" href="pair_charmm.html"><em>pair_style lj/charmmfsw/coul/charmmfsh</em></a> command.
+a simulation with the CHARMM force field, either with long-range
+Coulombics or a Coulomb cutoff, via the <a class="reference internal" href="pair_charmm.html"><em>pair_style lj/charmmfsw/coul/long</em></a> and <a class="reference internal" href="pair_charmm.html"><em>pair_style lj/charmmfsw/coul/charmmfsh</em></a> commands respectively.
 Otherwise the older <em>charmm</em> style is fine to use.  See the discussion
 below and more details on the <a class="reference internal" href="pair_charmm.html"><em>pair_style charmm</em></a> doc
 page.</p>
@@ -324,22 +324,25 @@
 default). Otherwise 1-4 non-bonded interactions in dihedrals will be
 computed twice.</p>
 <p>For simulations using the CHARMM force field with a Coulomb cutoff,
-the difference between the <em>charmm</em> and <em>charmmfsh</em> styles is in the
+the difference between the <em>charmm</em> and <em>charmmfsw</em> styles is in the
 computation of the 1-4 non-bond interactions, though only if the
 distance between the two atoms is within the switching region of the
 pairwise potential defined by the corresponding CHARMM pair style,
 i.e. within the outer cutoff specified for the pair style.  The
-<em>charmmfsh</em> style should only be used when using the <a class="reference internal" href="pair_charmm.html"><em>pair_style lj/charmmfsw/coul/charmmfsh</em></a> to make the Coulombic
-pairwise calculations consistent.  Use the <em>charmm</em> style with
-long-range Coulombics or the older <a class="reference internal" href="pair_charmm.html"><em>pair_style lj/charmm/coul/charmm</em></a> command.  See the discussion
-on the <a class="reference internal" href="pair_charmm.html"><em>CHARMM pair_style</em></a> doc page for details.</p>
+<em>charmmfsw</em> style should only be used when using the corresponding
+<a class="reference internal" href="pair_charmm.html"><em>pair_style lj/charmmfsw/coul/charmmfsw</em></a> or
+<a class="reference internal" href="pair_charmm.html"><em>pair_style lj/charmmfsw/coul/long</em></a> commands.  Use
+the <em>charmm</em> style with the older <a class="reference internal" href="pair_charmm.html"><em>pair_style</em></a>
+commands that have just &#8220;charmm&#8221; in their style name.  See the
+discussion on the <a class="reference internal" href="pair_charmm.html"><em>CHARMM pair_style</em></a> doc page for
+details.</p>
 <p>Note that for AMBER force fields, which use pair styles with &#8220;lj/cut&#8221;,
 the special_bonds 1-4 scaling factor should be set to the AMBER
 defaults (1/2 and 5/6) and all the dihedral weighting factors (4th
 coeff above) must be set to 0.0. In this case, you can use any pair
 style you wish, since the dihedral does not need any Lennard-Jones
 parameter information and will not compute any 1-4 non-bonded
-interactions.  Likewise the <em>charmm</em> or <em>charmmfsh</em> styles are
+interactions.  Likewise the <em>charmm</em> or <em>charmmfsw</em> styles are
 identical in this case since no 1-4 non-bonded interactions are
 computed.</p>
 <hr class="docutils" />
diff -Naur lammps-31Mar17/doc/html/dihedral_class2.html lammps-11Apr17/doc/html/dihedral_class2.html
--- lammps-31Mar17/doc/html/dihedral_class2.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/dihedral_class2.html	2017-04-11 09:01:35.421390814 -0600
@@ -104,7 +104,7 @@
 <li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-intel-command">dihedral_style charmm/intel command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-kk-command">dihedral_style charmm/kk command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-omp-command">dihedral_style charmm/omp command</a></li>
-<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmmfsh-command">dihedral_style charmmfsh command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmmfsw-command">dihedral_style charmmfsw command</a></li>
 <li class="toctree-l2 current"><a class="current reference internal" href="">dihedral_style class2 command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="#dihedral-style-class2-omp-command">dihedral_style class2/omp command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="#dihedral-style-class2-kk-command">dihedral_style class2/kk command</a><ul>
@@ -144,7 +144,7 @@
 <li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-intel-command">dihedral_style charmm/intel command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-kk-command">dihedral_style charmm/kk command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-omp-command">dihedral_style charmm/omp command</a></li>
-<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmmfsh-command">dihedral_style charmmfsh command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmmfsw-command">dihedral_style charmmfsw command</a></li>
 <li class="toctree-l2 current"><a class="current reference internal" href="">dihedral_style class2 command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="#dihedral-style-class2-omp-command">dihedral_style class2/omp command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="#dihedral-style-class2-kk-command">dihedral_style class2/kk command</a><ul>
@@ -204,7 +204,7 @@
       <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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-31Mar17/doc/html/dihedral_coeff.html lammps-11Apr17/doc/html/dihedral_coeff.html
--- lammps-31Mar17/doc/html/dihedral_coeff.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/dihedral_coeff.html	2017-04-11 09:01:35.477392474 -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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-31Mar17/doc/html/dihedral_cosine_shift_exp.html lammps-11Apr17/doc/html/dihedral_cosine_shift_exp.html
--- lammps-31Mar17/doc/html/dihedral_cosine_shift_exp.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/dihedral_cosine_shift_exp.html	2017-04-11 09:01:35.440391377 -0600
@@ -104,7 +104,7 @@
 <li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-intel-command">dihedral_style charmm/intel command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-kk-command">dihedral_style charmm/kk command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-omp-command">dihedral_style charmm/omp command</a></li>
-<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmmfsh-command">dihedral_style charmmfsh command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmmfsw-command">dihedral_style charmmfsw command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html">dihedral_style class2 command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html#dihedral-style-class2-omp-command">dihedral_style class2/omp command</a></li>
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@@ -144,7 +144,7 @@
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 <li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-kk-command">dihedral_style charmm/kk command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-omp-command">dihedral_style charmm/omp command</a></li>
-<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmmfsh-command">dihedral_style charmmfsh command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmmfsw-command">dihedral_style charmmfsw command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html">dihedral_style class2 command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html#dihedral-style-class2-omp-command">dihedral_style class2/omp command</a></li>
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@@ -204,7 +204,7 @@
       <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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-31Mar17/doc/html/dihedral_fourier.html lammps-11Apr17/doc/html/dihedral_fourier.html
--- lammps-31Mar17/doc/html/dihedral_fourier.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/dihedral_fourier.html	2017-04-11 09:01:35.423390873 -0600
@@ -104,7 +104,7 @@
 <li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-intel-command">dihedral_style charmm/intel command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-kk-command">dihedral_style charmm/kk command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-omp-command">dihedral_style charmm/omp command</a></li>
-<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmmfsh-command">dihedral_style charmmfsh command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmmfsw-command">dihedral_style charmmfsw command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html">dihedral_style class2 command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html#dihedral-style-class2-omp-command">dihedral_style class2/omp command</a></li>
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@@ -144,7 +144,7 @@
 <li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-intel-command">dihedral_style charmm/intel command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-kk-command">dihedral_style charmm/kk command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-omp-command">dihedral_style charmm/omp command</a></li>
-<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmmfsh-command">dihedral_style charmmfsh command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmmfsw-command">dihedral_style charmmfsw command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html">dihedral_style class2 command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html#dihedral-style-class2-omp-command">dihedral_style class2/omp command</a></li>
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@@ -204,7 +204,7 @@
       <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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-31Mar17/doc/html/dihedral_harmonic.html lammps-11Apr17/doc/html/dihedral_harmonic.html
--- lammps-31Mar17/doc/html/dihedral_harmonic.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/dihedral_harmonic.html	2017-04-11 09:01:35.423390873 -0600
@@ -104,7 +104,7 @@
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 <li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-kk-command">dihedral_style charmm/kk command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-omp-command">dihedral_style charmm/omp command</a></li>
-<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmmfsh-command">dihedral_style charmmfsh command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmmfsw-command">dihedral_style charmmfsw command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html">dihedral_style class2 command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html#dihedral-style-class2-omp-command">dihedral_style class2/omp command</a></li>
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@@ -144,7 +144,7 @@
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 <li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-kk-command">dihedral_style charmm/kk command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-omp-command">dihedral_style charmm/omp command</a></li>
-<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmmfsh-command">dihedral_style charmmfsh command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmmfsw-command">dihedral_style charmmfsw command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html">dihedral_style class2 command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html#dihedral-style-class2-omp-command">dihedral_style class2/omp command</a></li>
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@@ -204,7 +204,7 @@
       <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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-31Mar17/doc/html/dihedral_helix.html lammps-11Apr17/doc/html/dihedral_helix.html
--- lammps-31Mar17/doc/html/dihedral_helix.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/dihedral_helix.html	2017-04-11 09:01:35.423390873 -0600
@@ -104,7 +104,7 @@
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 <li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-kk-command">dihedral_style charmm/kk command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-omp-command">dihedral_style charmm/omp command</a></li>
-<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmmfsh-command">dihedral_style charmmfsh command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmmfsw-command">dihedral_style charmmfsw command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html">dihedral_style class2 command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html#dihedral-style-class2-omp-command">dihedral_style class2/omp command</a></li>
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@@ -144,7 +144,7 @@
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 <li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-kk-command">dihedral_style charmm/kk command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-omp-command">dihedral_style charmm/omp command</a></li>
-<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmmfsh-command">dihedral_style charmmfsh command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmmfsw-command">dihedral_style charmmfsw command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html">dihedral_style class2 command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html#dihedral-style-class2-omp-command">dihedral_style class2/omp command</a></li>
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@@ -204,7 +204,7 @@
       <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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-31Mar17/doc/html/dihedral_hybrid.html lammps-11Apr17/doc/html/dihedral_hybrid.html
--- lammps-31Mar17/doc/html/dihedral_hybrid.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/dihedral_hybrid.html	2017-04-11 09:01:35.432391141 -0600
@@ -104,7 +104,7 @@
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 <li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-omp-command">dihedral_style charmm/omp command</a></li>
-<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmmfsh-command">dihedral_style charmmfsh command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmmfsw-command">dihedral_style charmmfsw command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html">dihedral_style class2 command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html#dihedral-style-class2-omp-command">dihedral_style class2/omp command</a></li>
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@@ -144,7 +144,7 @@
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 <li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-kk-command">dihedral_style charmm/kk command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-omp-command">dihedral_style charmm/omp command</a></li>
-<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmmfsh-command">dihedral_style charmmfsh command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmmfsw-command">dihedral_style charmmfsw command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html">dihedral_style class2 command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html#dihedral-style-class2-omp-command">dihedral_style class2/omp command</a></li>
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@@ -204,7 +204,7 @@
       <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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-31Mar17/doc/html/dihedral_multi_harmonic.html lammps-11Apr17/doc/html/dihedral_multi_harmonic.html
--- lammps-31Mar17/doc/html/dihedral_multi_harmonic.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/dihedral_multi_harmonic.html	2017-04-11 09:01:35.461392000 -0600
@@ -104,7 +104,7 @@
 <li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-intel-command">dihedral_style charmm/intel command</a></li>
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 <li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-omp-command">dihedral_style charmm/omp command</a></li>
-<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmmfsh-command">dihedral_style charmmfsh command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmmfsw-command">dihedral_style charmmfsw command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html">dihedral_style class2 command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html#dihedral-style-class2-omp-command">dihedral_style class2/omp command</a></li>
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@@ -144,7 +144,7 @@
 <li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-intel-command">dihedral_style charmm/intel command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-kk-command">dihedral_style charmm/kk command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-omp-command">dihedral_style charmm/omp command</a></li>
-<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmmfsh-command">dihedral_style charmmfsh command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmmfsw-command">dihedral_style charmmfsw command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html">dihedral_style class2 command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html#dihedral-style-class2-omp-command">dihedral_style class2/omp command</a></li>
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@@ -204,7 +204,7 @@
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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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-31Mar17/doc/html/dihedral_nharmonic.html lammps-11Apr17/doc/html/dihedral_nharmonic.html
--- lammps-31Mar17/doc/html/dihedral_nharmonic.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/dihedral_nharmonic.html	2017-04-11 09:01:35.457391881 -0600
@@ -104,7 +104,7 @@
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 <li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-kk-command">dihedral_style charmm/kk command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-omp-command">dihedral_style charmm/omp command</a></li>
-<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmmfsh-command">dihedral_style charmmfsh command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmmfsw-command">dihedral_style charmmfsw command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html">dihedral_style class2 command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html#dihedral-style-class2-omp-command">dihedral_style class2/omp command</a></li>
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@@ -144,7 +144,7 @@
 <li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-intel-command">dihedral_style charmm/intel command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-kk-command">dihedral_style charmm/kk command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-omp-command">dihedral_style charmm/omp command</a></li>
-<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmmfsh-command">dihedral_style charmmfsh command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmmfsw-command">dihedral_style charmmfsw command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html">dihedral_style class2 command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html#dihedral-style-class2-omp-command">dihedral_style class2/omp command</a></li>
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@@ -204,7 +204,7 @@
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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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
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diff -Naur lammps-31Mar17/doc/html/dihedral_none.html lammps-11Apr17/doc/html/dihedral_none.html
--- lammps-31Mar17/doc/html/dihedral_none.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/dihedral_none.html	2017-04-11 09:01:35.476392444 -0600
@@ -104,7 +104,7 @@
 <li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-intel-command">dihedral_style charmm/intel command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-kk-command">dihedral_style charmm/kk command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-omp-command">dihedral_style charmm/omp command</a></li>
-<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmmfsh-command">dihedral_style charmmfsh command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmmfsw-command">dihedral_style charmmfsw command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html">dihedral_style class2 command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html#dihedral-style-class2-omp-command">dihedral_style class2/omp command</a></li>
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@@ -144,7 +144,7 @@
 <li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-intel-command">dihedral_style charmm/intel command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-kk-command">dihedral_style charmm/kk command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-omp-command">dihedral_style charmm/omp command</a></li>
-<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmmfsh-command">dihedral_style charmmfsh command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmmfsw-command">dihedral_style charmmfsw command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html">dihedral_style class2 command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html#dihedral-style-class2-omp-command">dihedral_style class2/omp command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html#dihedral-style-class2-kk-command">dihedral_style class2/kk command</a></li>
@@ -204,7 +204,7 @@
       <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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-31Mar17/doc/html/dihedral_opls.html lammps-11Apr17/doc/html/dihedral_opls.html
--- lammps-31Mar17/doc/html/dihedral_opls.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/dihedral_opls.html	2017-04-11 09:01:35.477392474 -0600
@@ -104,7 +104,7 @@
 <li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-intel-command">dihedral_style charmm/intel command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-kk-command">dihedral_style charmm/kk command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-omp-command">dihedral_style charmm/omp command</a></li>
-<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmmfsh-command">dihedral_style charmmfsh command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmmfsw-command">dihedral_style charmmfsw command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html">dihedral_style class2 command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html#dihedral-style-class2-omp-command">dihedral_style class2/omp command</a></li>
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@@ -144,7 +144,7 @@
 <li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-intel-command">dihedral_style charmm/intel command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-kk-command">dihedral_style charmm/kk command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-omp-command">dihedral_style charmm/omp command</a></li>
-<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmmfsh-command">dihedral_style charmmfsh command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmmfsw-command">dihedral_style charmmfsw command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html">dihedral_style class2 command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html#dihedral-style-class2-omp-command">dihedral_style class2/omp command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html#dihedral-style-class2-kk-command">dihedral_style class2/kk command</a></li>
@@ -204,7 +204,7 @@
       <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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-31Mar17/doc/html/dihedral_quadratic.html lammps-11Apr17/doc/html/dihedral_quadratic.html
--- lammps-31Mar17/doc/html/dihedral_quadratic.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/dihedral_quadratic.html	2017-04-11 09:01:35.440391377 -0600
@@ -104,7 +104,7 @@
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 <li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-kk-command">dihedral_style charmm/kk command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-omp-command">dihedral_style charmm/omp command</a></li>
-<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmmfsh-command">dihedral_style charmmfsh command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmmfsw-command">dihedral_style charmmfsw command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html">dihedral_style class2 command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html#dihedral-style-class2-omp-command">dihedral_style class2/omp command</a></li>
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@@ -144,7 +144,7 @@
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 <li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-kk-command">dihedral_style charmm/kk command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-omp-command">dihedral_style charmm/omp command</a></li>
-<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmmfsh-command">dihedral_style charmmfsh command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmmfsw-command">dihedral_style charmmfsw command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html">dihedral_style class2 command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html#dihedral-style-class2-omp-command">dihedral_style class2/omp command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html#dihedral-style-class2-kk-command">dihedral_style class2/kk command</a></li>
@@ -204,7 +204,7 @@
       <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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-31Mar17/doc/html/dihedral_spherical.html lammps-11Apr17/doc/html/dihedral_spherical.html
--- lammps-31Mar17/doc/html/dihedral_spherical.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/dihedral_spherical.html	2017-04-11 09:01:35.460391970 -0600
@@ -104,7 +104,7 @@
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 <li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-omp-command">dihedral_style charmm/omp command</a></li>
-<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmmfsh-command">dihedral_style charmmfsh command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmmfsw-command">dihedral_style charmmfsw command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html">dihedral_style class2 command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html#dihedral-style-class2-omp-command">dihedral_style class2/omp command</a></li>
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@@ -144,7 +144,7 @@
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 <li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-kk-command">dihedral_style charmm/kk command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-omp-command">dihedral_style charmm/omp command</a></li>
-<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmmfsh-command">dihedral_style charmmfsh command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmmfsw-command">dihedral_style charmmfsw command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html">dihedral_style class2 command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html#dihedral-style-class2-omp-command">dihedral_style class2/omp command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html#dihedral-style-class2-kk-command">dihedral_style class2/kk command</a></li>
@@ -204,7 +204,7 @@
       <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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-31Mar17/doc/html/dihedral_style.html lammps-11Apr17/doc/html/dihedral_style.html
--- lammps-31Mar17/doc/html/dihedral_style.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/dihedral_style.html	2017-04-11 09:01:35.438391317 -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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-31Mar17/doc/html/dihedral_table.html lammps-11Apr17/doc/html/dihedral_table.html
--- lammps-31Mar17/doc/html/dihedral_table.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/dihedral_table.html	2017-04-11 09:01:35.423390873 -0600
@@ -104,7 +104,7 @@
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 <li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-omp-command">dihedral_style charmm/omp command</a></li>
-<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmmfsh-command">dihedral_style charmmfsh command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmmfsw-command">dihedral_style charmmfsw command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html">dihedral_style class2 command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html#dihedral-style-class2-omp-command">dihedral_style class2/omp command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html#dihedral-style-class2-kk-command">dihedral_style class2/kk command</a></li>
@@ -144,7 +144,7 @@
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 <li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-kk-command">dihedral_style charmm/kk command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-omp-command">dihedral_style charmm/omp command</a></li>
-<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmmfsh-command">dihedral_style charmmfsh command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmmfsw-command">dihedral_style charmmfsw command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html">dihedral_style class2 command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html#dihedral-style-class2-omp-command">dihedral_style class2/omp command</a></li>
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@@ -204,7 +204,7 @@
       <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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-31Mar17/doc/html/dihedral_zero.html lammps-11Apr17/doc/html/dihedral_zero.html
--- lammps-31Mar17/doc/html/dihedral_zero.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/dihedral_zero.html	2017-04-11 09:01:35.432391141 -0600
@@ -104,7 +104,7 @@
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 <li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-kk-command">dihedral_style charmm/kk command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-omp-command">dihedral_style charmm/omp command</a></li>
-<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmmfsh-command">dihedral_style charmmfsh command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmmfsw-command">dihedral_style charmmfsw command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html">dihedral_style class2 command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html#dihedral-style-class2-omp-command">dihedral_style class2/omp command</a></li>
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@@ -143,7 +143,7 @@
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 <li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-kk-command">dihedral_style charmm/kk command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-omp-command">dihedral_style charmm/omp command</a></li>
-<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmmfsh-command">dihedral_style charmmfsh command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmmfsw-command">dihedral_style charmmfsw command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html">dihedral_style class2 command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html#dihedral-style-class2-omp-command">dihedral_style class2/omp command</a></li>
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@@ -202,7 +202,7 @@
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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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
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diff -Naur lammps-31Mar17/doc/html/dihedrals.html lammps-11Apr17/doc/html/dihedrals.html
--- lammps-31Mar17/doc/html/dihedrals.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/dihedrals.html	2017-04-11 09:01:35.472392328 -0600
@@ -103,7 +103,7 @@
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 <li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-kk-command">dihedral_style charmm/kk command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-omp-command">dihedral_style charmm/omp command</a></li>
-<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmmfsh-command">dihedral_style charmmfsh command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmmfsw-command">dihedral_style charmmfsw command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html">dihedral_style class2 command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html#dihedral-style-class2-omp-command">dihedral_style class2/omp command</a></li>
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@@ -136,7 +136,7 @@
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 <li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-kk-command">dihedral_style charmm/kk command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-omp-command">dihedral_style charmm/omp command</a></li>
-<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmmfsh-command">dihedral_style charmmfsh command</a></li>
+<li class="toctree-l2"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmmfsw-command">dihedral_style charmmfsw command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html">dihedral_style class2 command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html#dihedral-style-class2-omp-command">dihedral_style class2/omp command</a></li>
 <li class="toctree-l2"><a class="reference internal" href="dihedral_class2.html#dihedral-style-class2-kk-command">dihedral_style class2/kk command</a></li>
@@ -189,7 +189,7 @@
       <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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
@@ -225,7 +225,7 @@
 <li class="toctree-l1"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-intel-command">dihedral_style charmm/intel command</a></li>
 <li class="toctree-l1"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-kk-command">dihedral_style charmm/kk command</a></li>
 <li class="toctree-l1"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-omp-command">dihedral_style charmm/omp command</a></li>
-<li class="toctree-l1"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmmfsh-command">dihedral_style charmmfsh command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmmfsw-command">dihedral_style charmmfsw command</a></li>
 <li class="toctree-l1"><a class="reference internal" href="dihedral_class2.html">dihedral_style class2 command</a></li>
 <li class="toctree-l1"><a class="reference internal" href="dihedral_class2.html#dihedral-style-class2-omp-command">dihedral_style class2/omp command</a></li>
 <li class="toctree-l1"><a class="reference internal" href="dihedral_class2.html#dihedral-style-class2-kk-command">dihedral_style class2/kk command</a></li>
@@ -258,7 +258,7 @@
 <li class="toctree-l1"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-intel-command">dihedral_style charmm/intel command</a></li>
 <li class="toctree-l1"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-kk-command">dihedral_style charmm/kk command</a></li>
 <li class="toctree-l1"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmm-omp-command">dihedral_style charmm/omp command</a></li>
-<li class="toctree-l1"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmmfsh-command">dihedral_style charmmfsh command</a></li>
+<li class="toctree-l1"><a class="reference internal" href="dihedral_charmm.html#dihedral-style-charmmfsw-command">dihedral_style charmmfsw command</a></li>
 <li class="toctree-l1"><a class="reference internal" href="dihedral_class2.html">dihedral_style class2 command</a></li>
 <li class="toctree-l1"><a class="reference internal" href="dihedral_class2.html#dihedral-style-class2-omp-command">dihedral_style class2/omp command</a></li>
 <li class="toctree-l1"><a class="reference internal" href="dihedral_class2.html#dihedral-style-class2-kk-command">dihedral_style class2/kk command</a></li>
diff -Naur lammps-31Mar17/doc/html/dimension.html lammps-11Apr17/doc/html/dimension.html
--- lammps-31Mar17/doc/html/dimension.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/dimension.html	2017-04-11 09:01:35.458391910 -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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
   <ul class="wy-breadcrumbs">
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diff -Naur lammps-31Mar17/doc/html/displace_atoms.html lammps-11Apr17/doc/html/displace_atoms.html
--- lammps-31Mar17/doc/html/displace_atoms.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/displace_atoms.html	2017-04-11 09:01:35.460391970 -0600
@@ -243,7 +243,7 @@
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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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
   <ul class="wy-breadcrumbs">
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diff -Naur lammps-31Mar17/doc/html/dump.html lammps-11Apr17/doc/html/dump.html
--- lammps-31Mar17/doc/html/dump.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/dump.html	2017-04-11 09:01:35.426390960 -0600
@@ -243,7 +243,7 @@
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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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
   <ul class="wy-breadcrumbs">
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diff -Naur lammps-31Mar17/doc/html/dump_custom_vtk.html lammps-11Apr17/doc/html/dump_custom_vtk.html
--- lammps-31Mar17/doc/html/dump_custom_vtk.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/dump_custom_vtk.html	2017-04-11 09:01:35.432391141 -0600
@@ -243,7 +243,7 @@
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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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
   <ul class="wy-breadcrumbs">
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diff -Naur lammps-31Mar17/doc/html/dump_h5md.html lammps-11Apr17/doc/html/dump_h5md.html
--- lammps-31Mar17/doc/html/dump_h5md.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/dump_h5md.html	2017-04-11 09:01:35.431391111 -0600
@@ -242,7 +242,7 @@
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
   <ul class="wy-breadcrumbs">
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diff -Naur lammps-31Mar17/doc/html/dump_image.html lammps-11Apr17/doc/html/dump_image.html
--- lammps-31Mar17/doc/html/dump_image.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/dump_image.html	2017-04-11 09:01:35.421390814 -0600
@@ -243,7 +243,7 @@
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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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
   <ul class="wy-breadcrumbs">
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diff -Naur lammps-31Mar17/doc/html/dump_modify.html lammps-11Apr17/doc/html/dump_modify.html
--- lammps-31Mar17/doc/html/dump_modify.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/dump_modify.html	2017-04-11 09:01:35.422390844 -0600
@@ -243,7 +243,7 @@
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
   <ul class="wy-breadcrumbs">
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diff -Naur lammps-31Mar17/doc/html/dump_molfile.html lammps-11Apr17/doc/html/dump_molfile.html
--- lammps-31Mar17/doc/html/dump_molfile.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/dump_molfile.html	2017-04-11 09:01:35.433391170 -0600
@@ -243,7 +243,7 @@
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
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diff -Naur lammps-31Mar17/doc/html/dump_nc.html lammps-11Apr17/doc/html/dump_nc.html
--- lammps-31Mar17/doc/html/dump_nc.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/dump_nc.html	2017-04-11 09:01:35.478392505 -0600
@@ -242,7 +242,7 @@
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
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diff -Naur lammps-31Mar17/doc/html/echo.html lammps-11Apr17/doc/html/echo.html
--- lammps-31Mar17/doc/html/echo.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/echo.html	2017-04-11 09:01:35.434391199 -0600
@@ -242,7 +242,7 @@
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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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-31Mar17/doc/html/fix.html lammps-11Apr17/doc/html/fix.html
--- lammps-31Mar17/doc/html/fix.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/fix.html	2017-04-11 09:01:35.427390990 -0600
@@ -242,7 +242,7 @@
       <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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
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diff -Naur lammps-31Mar17/doc/html/fix_adapt.html lammps-11Apr17/doc/html/fix_adapt.html
--- lammps-31Mar17/doc/html/fix_adapt.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/fix_adapt.html	2017-04-11 09:01:35.426390960 -0600
@@ -348,7 +348,7 @@
       <div class="wy-nav-content">
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
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@@ -401,6 +401,11 @@
   pparam = parameter to adapt over time
   I,J = type pair(s) to set parameter for
   v_name = variable with name that calculates value of pparam
+<em>bond</em> args = bstyle bparam I v_name
+  bstyle = bond style name, e.g. harmonic
+  bparam = parameter to adapt over time
+  I = type bond to set parameter for
+  v_name = variable with name that calculates value of bparam
 <em>kspace</em> arg = v_name
   v_name = variable with name that calculates scale factor on K-space terms
 <em>atom</em> args = aparam v_name
@@ -424,12 +429,14 @@
 </div>
 <div class="section" id="examples">
 <h2>Examples</h2>
-<pre class="literal-block">
-fix 1 all adapt 1 pair soft a 1 1 v_prefactor
+<p>fix 1 all adapt 1 pair soft a 1 1 v_prefactor
 fix 1 all adapt 1 pair soft a 2* 3 v_prefactor
 fix 1 all adapt 1 pair lj/cut epsilon * * v_scale1 coul/cut scale 3 3 v_scale2 scale yes reset yes
-fix 1 all adapt 10 atom diameter v_size
-</pre>
+fix 1 all adapt 10 atom diameter v_size</p>
+<div class="highlight-python"><div class="highlight"><pre>variable ramp_up equal &quot;ramp(0.01,0.5)&quot;
+fix stretch all adapt 1 bond harmonic r0 1 v_ramp_up
+</pre></div>
+</div>
 </div>
 <div class="section" id="description">
 <h2>Description</h2>
@@ -613,6 +620,27 @@
 fix 1 all adapt 1 pair soft a * * v_prefactor
 </pre>
 <hr class="docutils" />
+<p>The <em>bond</em> keyword uses the specified variable to change the value of
+a bond coefficient over time, very similar to how the <em>pair</em> keyword
+operates. The only difference is that now a bond coefficient for a
+given bond type is adapted.</p>
+<p>Currently <em>bond</em> does not support bond_style hybrid nor bond_style
+hybrid/overlay as bond styles. The only bonds that currently are
+working with fix_adapt are</p>
+<table border="1" class="docutils">
+<colgroup>
+<col width="65%" />
+<col width="12%" />
+<col width="24%" />
+</colgroup>
+<tbody valign="top">
+<tr class="row-odd"><td><a class="reference internal" href="bond_harmonic.html"><em>harmonic</em></a></td>
+<td>k,r0</td>
+<td>type bonds</td>
+</tr>
+</tbody>
+</table>
+<hr class="docutils" />
 <p>The <em>kspace</em> keyword used the specified variable as a scale factor on
 the energy, forces, virial calculated by whatever K-Space solver is
 defined by the <a class="reference internal" href="kspace_style.html"><em>kspace_style</em></a> command.  If the
diff -Naur lammps-31Mar17/doc/html/fix_adapt_fep.html lammps-11Apr17/doc/html/fix_adapt_fep.html
--- lammps-31Mar17/doc/html/fix_adapt_fep.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/fix_adapt_fep.html	2017-04-11 09:01:35.438391317 -0600
@@ -348,7 +348,7 @@
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
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diff -Naur lammps-31Mar17/doc/html/fix_addforce.html lammps-11Apr17/doc/html/fix_addforce.html
--- lammps-31Mar17/doc/html/fix_addforce.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/fix_addforce.html	2017-04-11 09:01:35.437391287 -0600
@@ -348,7 +348,7 @@
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
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diff -Naur lammps-31Mar17/doc/html/fix_addtorque.html lammps-11Apr17/doc/html/fix_addtorque.html
--- lammps-31Mar17/doc/html/fix_addtorque.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/fix_addtorque.html	2017-04-11 09:01:35.428391021 -0600
@@ -347,7 +347,7 @@
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
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diff -Naur lammps-31Mar17/doc/html/fix_append_atoms.html lammps-11Apr17/doc/html/fix_append_atoms.html
--- lammps-31Mar17/doc/html/fix_append_atoms.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/fix_append_atoms.html	2017-04-11 09:01:35.471392298 -0600
@@ -348,7 +348,7 @@
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
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diff -Naur lammps-31Mar17/doc/html/fix_atc.html lammps-11Apr17/doc/html/fix_atc.html
--- lammps-31Mar17/doc/html/fix_atc.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/fix_atc.html	2017-04-11 09:01:35.456391852 -0600
@@ -348,7 +348,7 @@
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
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diff -Naur lammps-31Mar17/doc/html/fix_atom_swap.html lammps-11Apr17/doc/html/fix_atom_swap.html
--- lammps-31Mar17/doc/html/fix_atom_swap.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/fix_atom_swap.html	2017-04-11 09:01:35.476392444 -0600
@@ -348,7 +348,7 @@
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
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diff -Naur lammps-31Mar17/doc/html/fix_ave_atom.html lammps-11Apr17/doc/html/fix_ave_atom.html
--- lammps-31Mar17/doc/html/fix_ave_atom.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/fix_ave_atom.html	2017-04-11 09:01:35.431391111 -0600
@@ -347,7 +347,7 @@
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
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diff -Naur lammps-31Mar17/doc/html/fix_ave_chunk.html lammps-11Apr17/doc/html/fix_ave_chunk.html
--- lammps-31Mar17/doc/html/fix_ave_chunk.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/fix_ave_chunk.html	2017-04-11 09:01:35.430391081 -0600
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--- lammps-31Mar17/doc/html/fix_ave_correlate.html	2017-03-30 09:53:27.000000000 -0600
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--- lammps-31Mar17/doc/html/fix_ave_correlate_long.html	2017-03-30 09:53:27.000000000 -0600
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--- lammps-31Mar17/doc/html/fix_ave_histo.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_ave_time.html lammps-11Apr17/doc/html/fix_ave_time.html
--- lammps-31Mar17/doc/html/fix_ave_time.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_aveforce.html lammps-11Apr17/doc/html/fix_aveforce.html
--- lammps-31Mar17/doc/html/fix_aveforce.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_balance.html lammps-11Apr17/doc/html/fix_balance.html
--- lammps-31Mar17/doc/html/fix_balance.html	2017-03-30 09:53:27.000000000 -0600
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--- lammps-31Mar17/doc/html/fix_bond_break.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_bond_create.html lammps-11Apr17/doc/html/fix_bond_create.html
--- lammps-31Mar17/doc/html/fix_bond_create.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_bond_swap.html lammps-11Apr17/doc/html/fix_bond_swap.html
--- lammps-31Mar17/doc/html/fix_bond_swap.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_box_relax.html lammps-11Apr17/doc/html/fix_box_relax.html
--- lammps-31Mar17/doc/html/fix_box_relax.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_cmap.html lammps-11Apr17/doc/html/fix_cmap.html
--- lammps-31Mar17/doc/html/fix_cmap.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_colvars.html lammps-11Apr17/doc/html/fix_colvars.html
--- lammps-31Mar17/doc/html/fix_colvars.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_controller.html lammps-11Apr17/doc/html/fix_controller.html
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diff -Naur lammps-31Mar17/doc/html/fix_deform.html lammps-11Apr17/doc/html/fix_deform.html
--- lammps-31Mar17/doc/html/fix_deform.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_deposit.html lammps-11Apr17/doc/html/fix_deposit.html
--- lammps-31Mar17/doc/html/fix_deposit.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_dpd_energy.html lammps-11Apr17/doc/html/fix_dpd_energy.html
--- lammps-31Mar17/doc/html/fix_dpd_energy.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_drag.html lammps-11Apr17/doc/html/fix_drag.html
--- lammps-31Mar17/doc/html/fix_drag.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_drude.html lammps-11Apr17/doc/html/fix_drude.html
--- lammps-31Mar17/doc/html/fix_drude.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_drude_transform.html lammps-11Apr17/doc/html/fix_drude_transform.html
--- lammps-31Mar17/doc/html/fix_drude_transform.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_dt_reset.html lammps-11Apr17/doc/html/fix_dt_reset.html
--- lammps-31Mar17/doc/html/fix_dt_reset.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_efield.html lammps-11Apr17/doc/html/fix_efield.html
--- lammps-31Mar17/doc/html/fix_efield.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_ehex.html lammps-11Apr17/doc/html/fix_ehex.html
--- lammps-31Mar17/doc/html/fix_ehex.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_enforce2d.html lammps-11Apr17/doc/html/fix_enforce2d.html
--- lammps-31Mar17/doc/html/fix_enforce2d.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_eos_cv.html lammps-11Apr17/doc/html/fix_eos_cv.html
--- lammps-31Mar17/doc/html/fix_eos_cv.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_eos_table.html lammps-11Apr17/doc/html/fix_eos_table.html
--- lammps-31Mar17/doc/html/fix_eos_table.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_eos_table_rx.html lammps-11Apr17/doc/html/fix_eos_table_rx.html
--- lammps-31Mar17/doc/html/fix_eos_table_rx.html	2017-03-30 09:53:27.000000000 -0600
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--- lammps-31Mar17/doc/html/fix_evaporate.html	2017-03-30 09:53:27.000000000 -0600
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--- lammps-31Mar17/doc/html/fix_external.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_filter_corotate.html lammps-11Apr17/doc/html/fix_filter_corotate.html
--- lammps-31Mar17/doc/html/fix_filter_corotate.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_flow_gauss.html lammps-11Apr17/doc/html/fix_flow_gauss.html
--- lammps-31Mar17/doc/html/fix_flow_gauss.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_freeze.html lammps-11Apr17/doc/html/fix_freeze.html
--- lammps-31Mar17/doc/html/fix_freeze.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_gcmc.html lammps-11Apr17/doc/html/fix_gcmc.html
--- lammps-31Mar17/doc/html/fix_gcmc.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_gld.html lammps-11Apr17/doc/html/fix_gld.html
--- lammps-31Mar17/doc/html/fix_gld.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_gle.html lammps-11Apr17/doc/html/fix_gle.html
--- lammps-31Mar17/doc/html/fix_gle.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_gravity.html lammps-11Apr17/doc/html/fix_gravity.html
--- lammps-31Mar17/doc/html/fix_gravity.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_grem.html lammps-11Apr17/doc/html/fix_grem.html
--- lammps-31Mar17/doc/html/fix_grem.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_halt.html lammps-11Apr17/doc/html/fix_halt.html
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diff -Naur lammps-31Mar17/doc/html/fix_heat.html lammps-11Apr17/doc/html/fix_heat.html
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diff -Naur lammps-31Mar17/doc/html/fix_imd.html lammps-11Apr17/doc/html/fix_imd.html
--- lammps-31Mar17/doc/html/fix_imd.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_indent.html lammps-11Apr17/doc/html/fix_indent.html
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diff -Naur lammps-31Mar17/doc/html/fix_ipi.html lammps-11Apr17/doc/html/fix_ipi.html
--- lammps-31Mar17/doc/html/fix_ipi.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_langevin.html lammps-11Apr17/doc/html/fix_langevin.html
--- lammps-31Mar17/doc/html/fix_langevin.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_langevin_drude.html lammps-11Apr17/doc/html/fix_langevin_drude.html
--- lammps-31Mar17/doc/html/fix_langevin_drude.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_langevin_eff.html lammps-11Apr17/doc/html/fix_langevin_eff.html
--- lammps-31Mar17/doc/html/fix_langevin_eff.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_lb_fluid.html lammps-11Apr17/doc/html/fix_lb_fluid.html
--- lammps-31Mar17/doc/html/fix_lb_fluid.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_lb_momentum.html lammps-11Apr17/doc/html/fix_lb_momentum.html
--- lammps-31Mar17/doc/html/fix_lb_momentum.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_lb_pc.html lammps-11Apr17/doc/html/fix_lb_pc.html
--- lammps-31Mar17/doc/html/fix_lb_pc.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_lb_rigid_pc_sphere.html lammps-11Apr17/doc/html/fix_lb_rigid_pc_sphere.html
--- lammps-31Mar17/doc/html/fix_lb_rigid_pc_sphere.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_lb_viscous.html lammps-11Apr17/doc/html/fix_lb_viscous.html
--- lammps-31Mar17/doc/html/fix_lb_viscous.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_lineforce.html lammps-11Apr17/doc/html/fix_lineforce.html
--- lammps-31Mar17/doc/html/fix_lineforce.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_manifoldforce.html lammps-11Apr17/doc/html/fix_manifoldforce.html
--- lammps-31Mar17/doc/html/fix_manifoldforce.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_meso.html lammps-11Apr17/doc/html/fix_meso.html
--- lammps-31Mar17/doc/html/fix_meso.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_meso_stationary.html lammps-11Apr17/doc/html/fix_meso_stationary.html
--- lammps-31Mar17/doc/html/fix_meso_stationary.html	2017-03-30 09:53:27.000000000 -0600
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--- lammps-31Mar17/doc/html/fix_momentum.html	2017-03-30 09:53:27.000000000 -0600
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--- lammps-31Mar17/doc/html/fix_move.html	2017-03-30 09:53:27.000000000 -0600
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--- lammps-31Mar17/doc/html/fix_mscg.html	2017-03-30 09:53:27.000000000 -0600
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--- lammps-31Mar17/doc/html/fix_msst.html	2017-03-30 09:53:27.000000000 -0600
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--- lammps-31Mar17/doc/html/fix_nh.html	2017-03-30 09:53:27.000000000 -0600
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--- lammps-31Mar17/doc/html/fix_nph_sphere.html	2017-03-30 09:53:27.000000000 -0600
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--- lammps-31Mar17/doc/html/fix_npt_asphere.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_npt_body.html lammps-11Apr17/doc/html/fix_npt_body.html
--- lammps-31Mar17/doc/html/fix_npt_body.html	2017-03-30 09:53:27.000000000 -0600
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--- lammps-31Mar17/doc/html/fix_npt_sphere.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_nve.html lammps-11Apr17/doc/html/fix_nve.html
--- lammps-31Mar17/doc/html/fix_nve.html	2017-03-30 09:53:27.000000000 -0600
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--- lammps-31Mar17/doc/html/fix_nve_asphere.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_nve_asphere_noforce.html lammps-11Apr17/doc/html/fix_nve_asphere_noforce.html
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diff -Naur lammps-31Mar17/doc/html/fix_nve_body.html lammps-11Apr17/doc/html/fix_nve_body.html
--- lammps-31Mar17/doc/html/fix_nve_body.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_nve_dot.html lammps-11Apr17/doc/html/fix_nve_dot.html
--- lammps-31Mar17/doc/html/fix_nve_dot.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_nve_dotc_langevin.html lammps-11Apr17/doc/html/fix_nve_dotc_langevin.html
--- lammps-31Mar17/doc/html/fix_nve_dotc_langevin.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_nve_eff.html lammps-11Apr17/doc/html/fix_nve_eff.html
--- lammps-31Mar17/doc/html/fix_nve_eff.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_nve_limit.html lammps-11Apr17/doc/html/fix_nve_limit.html
--- lammps-31Mar17/doc/html/fix_nve_limit.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_nve_line.html lammps-11Apr17/doc/html/fix_nve_line.html
--- lammps-31Mar17/doc/html/fix_nve_line.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_nve_manifold_rattle.html lammps-11Apr17/doc/html/fix_nve_manifold_rattle.html
--- lammps-31Mar17/doc/html/fix_nve_manifold_rattle.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_nve_noforce.html lammps-11Apr17/doc/html/fix_nve_noforce.html
--- lammps-31Mar17/doc/html/fix_nve_noforce.html	2017-03-30 09:53:27.000000000 -0600
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--- lammps-31Mar17/doc/html/fix_nve_sphere.html	2017-03-30 09:53:27.000000000 -0600
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--- lammps-31Mar17/doc/html/fix_nve_tri.html	2017-03-30 09:53:27.000000000 -0600
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--- lammps-31Mar17/doc/html/fix_nvk.html	2017-03-30 09:53:27.000000000 -0600
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--- lammps-31Mar17/doc/html/fix_nvt_asphere.html	2017-03-30 09:53:27.000000000 -0600
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--- lammps-31Mar17/doc/html/fix_nvt_body.html	2017-03-30 09:53:27.000000000 -0600
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--- lammps-31Mar17/doc/html/fix_nvt_manifold_rattle.html	2017-03-30 09:53:27.000000000 -0600
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--- lammps-31Mar17/doc/html/fix_nvt_sllod.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_nvt_sllod_eff.html lammps-11Apr17/doc/html/fix_nvt_sllod_eff.html
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--- lammps-31Mar17/doc/html/fix_nvt_sphere.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_oneway.html lammps-11Apr17/doc/html/fix_oneway.html
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diff -Naur lammps-31Mar17/doc/html/fix_orient.html lammps-11Apr17/doc/html/fix_orient.html
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diff -Naur lammps-31Mar17/doc/html/fix_pimd.html lammps-11Apr17/doc/html/fix_pimd.html
--- lammps-31Mar17/doc/html/fix_pimd.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_planeforce.html lammps-11Apr17/doc/html/fix_planeforce.html
--- lammps-31Mar17/doc/html/fix_planeforce.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_poems.html lammps-11Apr17/doc/html/fix_poems.html
--- lammps-31Mar17/doc/html/fix_poems.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_pour.html lammps-11Apr17/doc/html/fix_pour.html
--- lammps-31Mar17/doc/html/fix_pour.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_press_berendsen.html lammps-11Apr17/doc/html/fix_press_berendsen.html
--- lammps-31Mar17/doc/html/fix_press_berendsen.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_print.html lammps-11Apr17/doc/html/fix_print.html
--- lammps-31Mar17/doc/html/fix_print.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_property_atom.html lammps-11Apr17/doc/html/fix_property_atom.html
--- lammps-31Mar17/doc/html/fix_property_atom.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_qbmsst.html lammps-11Apr17/doc/html/fix_qbmsst.html
--- lammps-31Mar17/doc/html/fix_qbmsst.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_qeq.html lammps-11Apr17/doc/html/fix_qeq.html
--- lammps-31Mar17/doc/html/fix_qeq.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_qeq_comb.html lammps-11Apr17/doc/html/fix_qeq_comb.html
--- lammps-31Mar17/doc/html/fix_qeq_comb.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_qeq_reax.html lammps-11Apr17/doc/html/fix_qeq_reax.html
--- lammps-31Mar17/doc/html/fix_qeq_reax.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_qmmm.html lammps-11Apr17/doc/html/fix_qmmm.html
--- lammps-31Mar17/doc/html/fix_qmmm.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_qtb.html lammps-11Apr17/doc/html/fix_qtb.html
--- lammps-31Mar17/doc/html/fix_qtb.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_reax_bonds.html lammps-11Apr17/doc/html/fix_reax_bonds.html
--- lammps-31Mar17/doc/html/fix_reax_bonds.html	2017-03-30 09:53:27.000000000 -0600
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--- lammps-31Mar17/doc/html/fix_reaxc_species.html	2017-03-30 09:53:27.000000000 -0600
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--- lammps-31Mar17/doc/html/fix_recenter.html	2017-03-30 09:53:27.000000000 -0600
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--- lammps-31Mar17/doc/html/fix_restrain.html	2017-03-30 09:53:27.000000000 -0600
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--- lammps-31Mar17/doc/html/fix_rigid.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_saed_vtk.html lammps-11Apr17/doc/html/fix_saed_vtk.html
--- lammps-31Mar17/doc/html/fix_saed_vtk.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_smd_adjust_dt.html lammps-11Apr17/doc/html/fix_smd_adjust_dt.html
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diff -Naur lammps-31Mar17/doc/html/fix_smd_integrate_tlsph.html lammps-11Apr17/doc/html/fix_smd_integrate_tlsph.html
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diff -Naur lammps-31Mar17/doc/html/fix_smd_integrate_ulsph.html lammps-11Apr17/doc/html/fix_smd_integrate_ulsph.html
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diff -Naur lammps-31Mar17/doc/html/fix_smd_move_triangulated_surface.html lammps-11Apr17/doc/html/fix_smd_move_triangulated_surface.html
--- lammps-31Mar17/doc/html/fix_smd_move_triangulated_surface.html	2017-03-30 09:53:27.000000000 -0600
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--- lammps-31Mar17/doc/html/fix_smd_setvel.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_smd_wall_surface.html lammps-11Apr17/doc/html/fix_smd_wall_surface.html
--- lammps-31Mar17/doc/html/fix_smd_wall_surface.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_spring.html lammps-11Apr17/doc/html/fix_spring.html
--- lammps-31Mar17/doc/html/fix_spring.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_spring_chunk.html lammps-11Apr17/doc/html/fix_spring_chunk.html
--- lammps-31Mar17/doc/html/fix_spring_chunk.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_spring_rg.html lammps-11Apr17/doc/html/fix_spring_rg.html
--- lammps-31Mar17/doc/html/fix_spring_rg.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_spring_self.html lammps-11Apr17/doc/html/fix_spring_self.html
--- lammps-31Mar17/doc/html/fix_spring_self.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_srd.html lammps-11Apr17/doc/html/fix_srd.html
--- lammps-31Mar17/doc/html/fix_srd.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_store_force.html lammps-11Apr17/doc/html/fix_store_force.html
--- lammps-31Mar17/doc/html/fix_store_force.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_store_state.html lammps-11Apr17/doc/html/fix_store_state.html
--- lammps-31Mar17/doc/html/fix_store_state.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_temp_berendsen.html lammps-11Apr17/doc/html/fix_temp_berendsen.html
--- lammps-31Mar17/doc/html/fix_temp_berendsen.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_temp_csvr.html lammps-11Apr17/doc/html/fix_temp_csvr.html
--- lammps-31Mar17/doc/html/fix_temp_csvr.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_temp_rescale.html lammps-11Apr17/doc/html/fix_temp_rescale.html
--- lammps-31Mar17/doc/html/fix_temp_rescale.html	2017-03-30 09:53:27.000000000 -0600
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--- lammps-31Mar17/doc/html/fix_temp_rescale_eff.html	2017-03-30 09:53:27.000000000 -0600
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--- lammps-31Mar17/doc/html/fix_tfmc.html	2017-03-30 09:53:27.000000000 -0600
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--- lammps-31Mar17/doc/html/fix_thermal_conductivity.html	2017-03-30 09:53:27.000000000 -0600
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--- lammps-31Mar17/doc/html/fix_ti_spring.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_tune_kspace.html lammps-11Apr17/doc/html/fix_tune_kspace.html
--- lammps-31Mar17/doc/html/fix_tune_kspace.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_vector.html lammps-11Apr17/doc/html/fix_vector.html
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--- lammps-31Mar17/doc/html/fix_viscosity.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_wall.html lammps-11Apr17/doc/html/fix_wall.html
--- lammps-31Mar17/doc/html/fix_wall.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_wall_gran.html lammps-11Apr17/doc/html/fix_wall_gran.html
--- lammps-31Mar17/doc/html/fix_wall_gran.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_wall_gran_region.html lammps-11Apr17/doc/html/fix_wall_gran_region.html
--- lammps-31Mar17/doc/html/fix_wall_gran_region.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_wall_piston.html lammps-11Apr17/doc/html/fix_wall_piston.html
--- lammps-31Mar17/doc/html/fix_wall_piston.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_wall_reflect.html lammps-11Apr17/doc/html/fix_wall_reflect.html
--- lammps-31Mar17/doc/html/fix_wall_reflect.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_wall_region.html lammps-11Apr17/doc/html/fix_wall_region.html
--- lammps-31Mar17/doc/html/fix_wall_region.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fix_wall_srd.html lammps-11Apr17/doc/html/fix_wall_srd.html
--- lammps-31Mar17/doc/html/fix_wall_srd.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/fixes.html lammps-11Apr17/doc/html/fixes.html
--- lammps-31Mar17/doc/html/fixes.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/genindex.html lammps-11Apr17/doc/html/genindex.html
--- lammps-31Mar17/doc/html/genindex.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/group.html lammps-11Apr17/doc/html/group.html
--- lammps-31Mar17/doc/html/group.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/group2ndx.html lammps-11Apr17/doc/html/group2ndx.html
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diff -Naur lammps-31Mar17/doc/html/if.html lammps-11Apr17/doc/html/if.html
--- lammps-31Mar17/doc/html/if.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/improper_class2.html lammps-11Apr17/doc/html/improper_class2.html
--- lammps-31Mar17/doc/html/improper_class2.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/improper_coeff.html lammps-11Apr17/doc/html/improper_coeff.html
--- lammps-31Mar17/doc/html/improper_coeff.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/improper_cossq.html lammps-11Apr17/doc/html/improper_cossq.html
--- lammps-31Mar17/doc/html/improper_cossq.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/improper_cvff.html lammps-11Apr17/doc/html/improper_cvff.html
--- lammps-31Mar17/doc/html/improper_cvff.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/improper_distance.html lammps-11Apr17/doc/html/improper_distance.html
--- lammps-31Mar17/doc/html/improper_distance.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/improper_distance.html	2017-04-11 09:01:35.422390844 -0600
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diff -Naur lammps-31Mar17/doc/html/improper_fourier.html lammps-11Apr17/doc/html/improper_fourier.html
--- lammps-31Mar17/doc/html/improper_fourier.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/improper_harmonic.html lammps-11Apr17/doc/html/improper_harmonic.html
--- lammps-31Mar17/doc/html/improper_harmonic.html	2017-03-30 09:53:27.000000000 -0600
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
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diff -Naur lammps-31Mar17/doc/html/improper_hybrid.html lammps-11Apr17/doc/html/improper_hybrid.html
--- lammps-31Mar17/doc/html/improper_hybrid.html	2017-03-30 09:53:27.000000000 -0600
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
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diff -Naur lammps-31Mar17/doc/html/improper_none.html lammps-11Apr17/doc/html/improper_none.html
--- lammps-31Mar17/doc/html/improper_none.html	2017-03-30 09:53:27.000000000 -0600
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
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diff -Naur lammps-31Mar17/doc/html/improper_ring.html lammps-11Apr17/doc/html/improper_ring.html
--- lammps-31Mar17/doc/html/improper_ring.html	2017-03-30 09:53:27.000000000 -0600
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
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diff -Naur lammps-31Mar17/doc/html/improper_style.html lammps-11Apr17/doc/html/improper_style.html
--- lammps-31Mar17/doc/html/improper_style.html	2017-03-30 09:53:27.000000000 -0600
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
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diff -Naur lammps-31Mar17/doc/html/improper_umbrella.html lammps-11Apr17/doc/html/improper_umbrella.html
--- lammps-31Mar17/doc/html/improper_umbrella.html	2017-03-30 09:53:27.000000000 -0600
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
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diff -Naur lammps-31Mar17/doc/html/improper_zero.html lammps-11Apr17/doc/html/improper_zero.html
--- lammps-31Mar17/doc/html/improper_zero.html	2017-03-30 09:53:27.000000000 -0600
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+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
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diff -Naur lammps-31Mar17/doc/html/impropers.html lammps-11Apr17/doc/html/impropers.html
--- lammps-31Mar17/doc/html/impropers.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/include.html lammps-11Apr17/doc/html/include.html
--- lammps-31Mar17/doc/html/include.html	2017-03-30 09:53:27.000000000 -0600
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+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
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diff -Naur lammps-31Mar17/doc/html/info.html lammps-11Apr17/doc/html/info.html
--- lammps-31Mar17/doc/html/info.html	2017-03-30 09:53:27.000000000 -0600
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
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diff -Naur lammps-31Mar17/doc/html/jump.html lammps-11Apr17/doc/html/jump.html
--- lammps-31Mar17/doc/html/jump.html	2017-03-30 09:53:27.000000000 -0600
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
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diff -Naur lammps-31Mar17/doc/html/kspace_modify.html lammps-11Apr17/doc/html/kspace_modify.html
--- lammps-31Mar17/doc/html/kspace_modify.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/kspace_modify.html	2017-04-11 09:01:35.474392386 -0600
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
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@@ -545,9 +545,10 @@
 <em>force/disp/real</em> or <em>force/disp/kspace</em> keywords, or
 the code will stop with an error message. When this option is set to
 <em>yes</em>, the error message will not appear and the simulation will start.
-For a typical application, using the automatic parameter generation will provide
-simulations that are either inaccurate or slow. Using this option is thus not
-recommended. For guidelines on how to obtain good parameters, see the <a class="reference internal" href="Section_howto.html#howto-23"><span>How-To</span></a> discussion.</p>
+For a typical application, using the automatic parameter generation
+will provide simulations that are either inaccurate or slow. Using this
+option is thus not recommended. For guidelines on how to obtain good
+parameters, see the <a class="reference internal" href="Section_howto.html#howto-24"><span>How-To</span></a> discussion.</p>
 </div>
 <div class="section" id="restrictions">
 <h2>Restrictions</h2>
diff -Naur lammps-31Mar17/doc/html/kspace_style.html lammps-11Apr17/doc/html/kspace_style.html
--- lammps-31Mar17/doc/html/kspace_style.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/kspace_style.html	2017-04-11 09:01:35.456391852 -0600
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
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diff -Naur lammps-31Mar17/doc/html/label.html lammps-11Apr17/doc/html/label.html
--- lammps-31Mar17/doc/html/label.html	2017-03-30 09:53:27.000000000 -0600
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
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diff -Naur lammps-31Mar17/doc/html/lattice.html lammps-11Apr17/doc/html/lattice.html
--- lammps-31Mar17/doc/html/lattice.html	2017-03-30 09:53:27.000000000 -0600
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
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diff -Naur lammps-31Mar17/doc/html/log.html lammps-11Apr17/doc/html/log.html
--- lammps-31Mar17/doc/html/log.html	2017-03-30 09:53:27.000000000 -0600
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
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diff -Naur lammps-31Mar17/doc/html/manifolds.html lammps-11Apr17/doc/html/manifolds.html
--- lammps-31Mar17/doc/html/manifolds.html	2017-03-30 09:53:27.000000000 -0600
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
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diff -Naur lammps-31Mar17/doc/html/mass.html lammps-11Apr17/doc/html/mass.html
--- lammps-31Mar17/doc/html/mass.html	2017-03-30 09:53:27.000000000 -0600
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+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
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diff -Naur lammps-31Mar17/doc/html/min_modify.html lammps-11Apr17/doc/html/min_modify.html
--- lammps-31Mar17/doc/html/min_modify.html	2017-03-30 09:53:27.000000000 -0600
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
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diff -Naur lammps-31Mar17/doc/html/min_style.html lammps-11Apr17/doc/html/min_style.html
--- lammps-31Mar17/doc/html/min_style.html	2017-03-30 09:53:27.000000000 -0600
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
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diff -Naur lammps-31Mar17/doc/html/minimize.html lammps-11Apr17/doc/html/minimize.html
--- lammps-31Mar17/doc/html/minimize.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/minimize.html	2017-04-11 09:01:35.436391257 -0600
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
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diff -Naur lammps-31Mar17/doc/html/molecule.html lammps-11Apr17/doc/html/molecule.html
--- lammps-31Mar17/doc/html/molecule.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/molecule.html	2017-04-11 09:01:35.428391021 -0600
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
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diff -Naur lammps-31Mar17/doc/html/neb.html lammps-11Apr17/doc/html/neb.html
--- lammps-31Mar17/doc/html/neb.html	2017-03-30 09:53:27.000000000 -0600
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
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diff -Naur lammps-31Mar17/doc/html/neigh_modify.html lammps-11Apr17/doc/html/neigh_modify.html
--- lammps-31Mar17/doc/html/neigh_modify.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/neigh_modify.html	2017-04-11 09:01:35.459391940 -0600
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
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diff -Naur lammps-31Mar17/doc/html/neighbor.html lammps-11Apr17/doc/html/neighbor.html
--- lammps-31Mar17/doc/html/neighbor.html	2017-03-30 09:53:27.000000000 -0600
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@@ -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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-31Mar17/doc/html/newton.html lammps-11Apr17/doc/html/newton.html
--- lammps-31Mar17/doc/html/newton.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/newton.html	2017-04-11 09:01:35.428391021 -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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-31Mar17/doc/html/next.html lammps-11Apr17/doc/html/next.html
--- lammps-31Mar17/doc/html/next.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/next.html	2017-04-11 09:01:35.454391794 -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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-31Mar17/doc/html/objects.inv lammps-11Apr17/doc/html/objects.inv
--- lammps-31Mar17/doc/html/objects.inv	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/objects.inv	2017-04-11 09:01:35.476392444 -0600
@@ -1,6 +1,6 @@
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 # Project: LAMMPS
-# Version: 31 Mar 2017
+# Version: 11 Apr 2017
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diff -Naur lammps-31Mar17/doc/html/package.html lammps-11Apr17/doc/html/package.html
--- lammps-31Mar17/doc/html/package.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/package.html	2017-04-11 09:01:35.432391141 -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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-31Mar17/doc/html/pair_adp.html lammps-11Apr17/doc/html/pair_adp.html
--- lammps-31Mar17/doc/html/pair_adp.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/pair_adp.html	2017-04-11 09:01:35.455391823 -0600
@@ -517,7 +517,7 @@
       <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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-31Mar17/doc/html/pair_agni.html lammps-11Apr17/doc/html/pair_agni.html
--- lammps-31Mar17/doc/html/pair_agni.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/pair_agni.html	2017-04-11 09:01:35.422390844 -0600
@@ -517,7 +517,7 @@
       <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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-31Mar17/doc/html/pair_airebo.html lammps-11Apr17/doc/html/pair_airebo.html
--- lammps-31Mar17/doc/html/pair_airebo.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/pair_airebo.html	2017-04-11 09:01:35.455391823 -0600
@@ -517,7 +517,7 @@
       <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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
   <ul class="wy-breadcrumbs">
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diff -Naur lammps-31Mar17/doc/html/pair_awpmd.html lammps-11Apr17/doc/html/pair_awpmd.html
--- lammps-31Mar17/doc/html/pair_awpmd.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/pair_awpmd.html	2017-04-11 09:01:35.431391111 -0600
@@ -518,7 +518,7 @@
       <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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-31Mar17/doc/html/pair_beck.html lammps-11Apr17/doc/html/pair_beck.html
--- lammps-31Mar17/doc/html/pair_beck.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/pair_beck.html	2017-04-11 09:01:35.431391111 -0600
@@ -517,7 +517,7 @@
       <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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
   <ul class="wy-breadcrumbs">
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diff -Naur lammps-31Mar17/doc/html/pair_body.html lammps-11Apr17/doc/html/pair_body.html
--- lammps-31Mar17/doc/html/pair_body.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/pair_body.html	2017-04-11 09:01:35.454391794 -0600
@@ -517,7 +517,7 @@
       <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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-31Mar17/doc/html/pair_bop.html lammps-11Apr17/doc/html/pair_bop.html
--- lammps-31Mar17/doc/html/pair_bop.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/pair_bop.html	2017-04-11 09:01:35.458391910 -0600
@@ -518,7 +518,7 @@
       <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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
   <ul class="wy-breadcrumbs">
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diff -Naur lammps-31Mar17/doc/html/pair_born.html lammps-11Apr17/doc/html/pair_born.html
--- lammps-31Mar17/doc/html/pair_born.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/pair_born.html	2017-04-11 09:01:35.458391910 -0600
@@ -517,7 +517,7 @@
       <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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-31Mar17/doc/html/pair_brownian.html lammps-11Apr17/doc/html/pair_brownian.html
--- lammps-31Mar17/doc/html/pair_brownian.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/pair_brownian.html	2017-04-11 09:01:35.429391051 -0600
@@ -518,7 +518,7 @@
       <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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
   <ul class="wy-breadcrumbs">
     <li><a href="Manual.html">Docs</a> &raquo;</li>
       
diff -Naur lammps-31Mar17/doc/html/pair_buck.html lammps-11Apr17/doc/html/pair_buck.html
--- lammps-31Mar17/doc/html/pair_buck.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/pair_buck.html	2017-04-11 09:01:35.476392444 -0600
@@ -517,7 +517,7 @@
       <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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
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@@ -694,14 +694,17 @@
 <li>cutoff (distance units)</li>
 <li>cutoff2 (distance units)</li>
 </ul>
-<p>The second coefficient, rho, must be greater than zero.</p>
+<p>The second coefficient, rho, must be greater than zero.
+The coefficients A, rho, and C can be written as analytical expressions
+of epsilon and sigma, in analogy to the Lennard-Jones potential
+<a class="reference internal" href="#khrapak"><span>(Khrapak)</span></a>.</p>
 <p>The latter 2 coefficients are optional.  If not specified, the global
 A,C and Coulombic cutoffs are used.  If only one cutoff is specified,
 it is used as the cutoff for both A,C and Coulombic interactions for
 this type pair.  If both coefficients are specified, they are used as
 the A,C and Coulombic cutoffs for this type pair.  You cannot specify
-2 cutoffs for style <em>buck</em>, since it has no Coulombic terms.</p>
-<p>For <em>buck/coul/long</em> only the LJ cutoff can be specified since a
+2 cutoffs for style <em>buck</em>, since it has no Coulombic terms.
+For <em>buck/coul/long</em> only the LJ cutoff can be specified since a
 Coulombic cutoff cannot be specified for an individual I,J type pair.
 All type pairs use the same global Coulombic cutoff specified in the
 pair_style command.</p>
@@ -749,6 +752,7 @@
 <h2>Related commands</h2>
 <p><a class="reference internal" href="pair_coeff.html"><em>pair_coeff</em></a>, <a class="reference internal" href="pair_born.html"><em>pair_style born</em></a></p>
 <p><strong>Default:</strong> none</p>
+<p id="khrapak"><strong>(Khrapak)</strong> Khrapak, Chaudhuri, and Morfill, J Chem Phys, 134, 054120 (2011).</p>
 </div>
 </div>
 
diff -Naur lammps-31Mar17/doc/html/pair_buck_long.html lammps-11Apr17/doc/html/pair_buck_long.html
--- lammps-31Mar17/doc/html/pair_buck_long.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/pair_buck_long.html	2017-04-11 09:01:35.472392328 -0600
@@ -517,7 +517,7 @@
       <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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
   <ul class="wy-breadcrumbs">
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diff -Naur lammps-31Mar17/doc/html/pair_charmm.html lammps-11Apr17/doc/html/pair_charmm.html
--- lammps-31Mar17/doc/html/pair_charmm.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/pair_charmm.html	2017-04-11 09:01:35.427390990 -0600
@@ -517,7 +517,7 @@
       <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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
   <ul class="wy-breadcrumbs">
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@@ -670,9 +670,9 @@
 <p class="first admonition-title">Note</p>
 <p class="last">The newer <em>charmmfsw</em> or <em>charmmfsh</em> styles were released in
 March 2017.  We recommend they be used instead of the older <em>charmm</em>
-styles.  Eventually code from the new styles will propagate into the
-related pair styles (e.g. implicit, accelerator, free energy
-variants).</p>
+styles.  This includes the newer <a class="reference internal" href="dihedral_charmm.html"><em>dihedral_style charmmfsw</em></a> command.  Eventually code from the new
+styles will propagate into the related pair styles (e.g. implicit,
+accelerator, free energy variants).</p>
 </div>
 <p>The general CHARMM formulas are as follows</p>
 <img alt="_images/pair_charmm.jpg" class="align-center" src="_images/pair_charmm.jpg" />
diff -Naur lammps-31Mar17/doc/html/pair_class2.html lammps-11Apr17/doc/html/pair_class2.html
--- lammps-31Mar17/doc/html/pair_class2.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/pair_class2.html	2017-04-11 09:01:35.471392298 -0600
@@ -517,7 +517,7 @@
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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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
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diff -Naur lammps-31Mar17/doc/html/pair_coeff.html lammps-11Apr17/doc/html/pair_coeff.html
--- lammps-31Mar17/doc/html/pair_coeff.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/pair_coeff.html	2017-04-11 09:01:35.475392415 -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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
   <ul class="wy-breadcrumbs">
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diff -Naur lammps-31Mar17/doc/html/pair_colloid.html lammps-11Apr17/doc/html/pair_colloid.html
--- lammps-31Mar17/doc/html/pair_colloid.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/pair_colloid.html	2017-04-11 09:01:35.477392474 -0600
@@ -517,7 +517,7 @@
       <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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
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diff -Naur lammps-31Mar17/doc/html/pair_comb.html lammps-11Apr17/doc/html/pair_comb.html
--- lammps-31Mar17/doc/html/pair_comb.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/pair_comb.html	2017-04-11 09:01:35.459391940 -0600
@@ -517,7 +517,7 @@
       <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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
   <ul class="wy-breadcrumbs">
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diff -Naur lammps-31Mar17/doc/html/pair_coul.html lammps-11Apr17/doc/html/pair_coul.html
--- lammps-31Mar17/doc/html/pair_coul.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/pair_coul.html	2017-04-11 09:01:35.429391051 -0600
@@ -517,7 +517,7 @@
       <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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
   <ul class="wy-breadcrumbs">
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diff -Naur lammps-31Mar17/doc/html/pair_coul_diel.html lammps-11Apr17/doc/html/pair_coul_diel.html
--- lammps-31Mar17/doc/html/pair_coul_diel.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/pair_coul_diel.html	2017-04-11 09:01:35.422390844 -0600
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diff -Naur lammps-31Mar17/doc/html/pair_reax_c.html lammps-11Apr17/doc/html/pair_reax_c.html
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--- lammps-31Mar17/doc/html/pair_resquared.html	2017-03-30 09:53:27.000000000 -0600
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--- lammps-31Mar17/doc/html/pair_sdk.html	2017-03-30 09:53:27.000000000 -0600
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--- lammps-31Mar17/doc/html/pair_smd_hertz.html	2017-03-30 09:53:27.000000000 -0600
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--- lammps-31Mar17/doc/html/pair_smd_tlsph.html	2017-03-30 09:53:27.000000000 -0600
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--- lammps-31Mar17/doc/html/pair_smd_ulsph.html	2017-03-30 09:53:27.000000000 -0600
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--- lammps-31Mar17/doc/html/pair_sph_heatconduction.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/pair_sph_idealgas.html lammps-11Apr17/doc/html/pair_sph_idealgas.html
--- lammps-31Mar17/doc/html/pair_sph_idealgas.html	2017-03-30 09:53:27.000000000 -0600
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--- lammps-31Mar17/doc/html/pair_sph_lj.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/pair_sph_rhosum.html lammps-11Apr17/doc/html/pair_sph_rhosum.html
--- lammps-31Mar17/doc/html/pair_sph_rhosum.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/pair_sph_taitwater.html lammps-11Apr17/doc/html/pair_sph_taitwater.html
--- lammps-31Mar17/doc/html/pair_sph_taitwater.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/pair_sph_taitwater_morris.html lammps-11Apr17/doc/html/pair_sph_taitwater_morris.html
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diff -Naur lammps-31Mar17/doc/html/pair_srp.html lammps-11Apr17/doc/html/pair_srp.html
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diff -Naur lammps-31Mar17/doc/html/pair_style.html lammps-11Apr17/doc/html/pair_style.html
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diff -Naur lammps-31Mar17/doc/html/pair_sw.html lammps-11Apr17/doc/html/pair_sw.html
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diff -Naur lammps-31Mar17/doc/html/pair_table_rx.html lammps-11Apr17/doc/html/pair_table_rx.html
--- lammps-31Mar17/doc/html/pair_table_rx.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/pair_tersoff.html lammps-11Apr17/doc/html/pair_tersoff.html
--- lammps-31Mar17/doc/html/pair_tersoff.html	2017-03-30 09:53:27.000000000 -0600
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--- lammps-31Mar17/doc/html/pair_tersoff_zbl.html	2017-03-30 09:53:27.000000000 -0600
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--- lammps-31Mar17/doc/html/pair_thole.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/pair_tri_lj.html lammps-11Apr17/doc/html/pair_tri_lj.html
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--- lammps-31Mar17/doc/html/pair_vashishta.html	2017-03-30 09:53:27.000000000 -0600
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--- lammps-31Mar17/doc/html/pair_write.html	2017-03-30 09:53:27.000000000 -0600
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--- lammps-31Mar17/doc/html/pair_yukawa.html	2017-03-30 09:53:27.000000000 -0600
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--- lammps-31Mar17/doc/html/pair_yukawa_colloid.html	2017-03-30 09:53:27.000000000 -0600
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--- lammps-31Mar17/doc/html/pair_zbl.html	2017-03-30 09:53:27.000000000 -0600
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--- lammps-31Mar17/doc/html/pair_zero.html	2017-03-30 09:53:27.000000000 -0600
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--- lammps-31Mar17/doc/html/pairs.html	2017-03-30 09:53:27.000000000 -0600
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--- lammps-31Mar17/doc/html/partition.html	2017-03-30 09:53:27.000000000 -0600
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--- lammps-31Mar17/doc/html/prd.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/print.html lammps-11Apr17/doc/html/print.html
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--- lammps-31Mar17/doc/html/processors.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/python.html lammps-11Apr17/doc/html/python.html
--- lammps-31Mar17/doc/html/python.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/quit.html lammps-11Apr17/doc/html/quit.html
--- lammps-31Mar17/doc/html/quit.html	2017-03-30 09:53:27.000000000 -0600
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--- lammps-31Mar17/doc/html/read_dump.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/read_restart.html lammps-11Apr17/doc/html/read_restart.html
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diff -Naur lammps-31Mar17/doc/html/region.html lammps-11Apr17/doc/html/region.html
--- lammps-31Mar17/doc/html/region.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/replicate.html lammps-11Apr17/doc/html/replicate.html
--- lammps-31Mar17/doc/html/replicate.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/rerun.html lammps-11Apr17/doc/html/rerun.html
--- lammps-31Mar17/doc/html/rerun.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/reset_timestep.html lammps-11Apr17/doc/html/reset_timestep.html
--- lammps-31Mar17/doc/html/reset_timestep.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/restart.html lammps-11Apr17/doc/html/restart.html
--- lammps-31Mar17/doc/html/restart.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/run.html lammps-11Apr17/doc/html/run.html
--- lammps-31Mar17/doc/html/run.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/run_style.html lammps-11Apr17/doc/html/run_style.html
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diff -Naur lammps-31Mar17/doc/html/search.html lammps-11Apr17/doc/html/search.html
--- lammps-31Mar17/doc/html/search.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/set.html lammps-11Apr17/doc/html/set.html
--- lammps-31Mar17/doc/html/set.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/shell.html lammps-11Apr17/doc/html/shell.html
--- lammps-31Mar17/doc/html/shell.html	2017-03-30 09:53:27.000000000 -0600
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diff -Naur lammps-31Mar17/doc/html/special_bonds.html lammps-11Apr17/doc/html/special_bonds.html
--- lammps-31Mar17/doc/html/special_bonds.html	2017-03-30 09:53:27.000000000 -0600
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--- lammps-31Mar17/doc/html/suffix.html	2017-03-30 09:53:27.000000000 -0600
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
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diff -Naur lammps-31Mar17/doc/html/tad.html lammps-11Apr17/doc/html/tad.html
--- lammps-31Mar17/doc/html/tad.html	2017-03-30 09:53:27.000000000 -0600
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+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
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diff -Naur lammps-31Mar17/doc/html/temper.html lammps-11Apr17/doc/html/temper.html
--- lammps-31Mar17/doc/html/temper.html	2017-03-30 09:53:27.000000000 -0600
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+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
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diff -Naur lammps-31Mar17/doc/html/temper_grem.html lammps-11Apr17/doc/html/temper_grem.html
--- lammps-31Mar17/doc/html/temper_grem.html	2017-03-30 09:53:27.000000000 -0600
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
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diff -Naur lammps-31Mar17/doc/html/thermo.html lammps-11Apr17/doc/html/thermo.html
--- lammps-31Mar17/doc/html/thermo.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/thermo.html	2017-04-11 09:01:35.475392415 -0600
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+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
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diff -Naur lammps-31Mar17/doc/html/thermo_modify.html lammps-11Apr17/doc/html/thermo_modify.html
--- lammps-31Mar17/doc/html/thermo_modify.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/thermo_modify.html	2017-04-11 09:01:35.432391141 -0600
@@ -243,7 +243,7 @@
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
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diff -Naur lammps-31Mar17/doc/html/thermo_style.html lammps-11Apr17/doc/html/thermo_style.html
--- lammps-31Mar17/doc/html/thermo_style.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/thermo_style.html	2017-04-11 09:01:35.431391111 -0600
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
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diff -Naur lammps-31Mar17/doc/html/timer.html lammps-11Apr17/doc/html/timer.html
--- lammps-31Mar17/doc/html/timer.html	2017-03-30 09:53:27.000000000 -0600
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
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diff -Naur lammps-31Mar17/doc/html/timestep.html lammps-11Apr17/doc/html/timestep.html
--- lammps-31Mar17/doc/html/timestep.html	2017-03-30 09:53:27.000000000 -0600
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
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diff -Naur lammps-31Mar17/doc/html/tutorial_drude.html lammps-11Apr17/doc/html/tutorial_drude.html
--- lammps-31Mar17/doc/html/tutorial_drude.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/tutorial_drude.html	2017-04-11 09:01:35.422390844 -0600
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
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diff -Naur lammps-31Mar17/doc/html/tutorial_github.html lammps-11Apr17/doc/html/tutorial_github.html
--- lammps-31Mar17/doc/html/tutorial_github.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/tutorial_github.html	2017-04-11 09:01:35.421390814 -0600
@@ -129,7 +129,7 @@
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
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diff -Naur lammps-31Mar17/doc/html/tutorial_pylammps.html lammps-11Apr17/doc/html/tutorial_pylammps.html
--- lammps-31Mar17/doc/html/tutorial_pylammps.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/tutorial_pylammps.html	2017-04-11 09:01:35.434391199 -0600
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
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diff -Naur lammps-31Mar17/doc/html/tutorials.html lammps-11Apr17/doc/html/tutorials.html
--- lammps-31Mar17/doc/html/tutorials.html	2017-03-30 09:53:27.000000000 -0600
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
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diff -Naur lammps-31Mar17/doc/html/uncompute.html lammps-11Apr17/doc/html/uncompute.html
--- lammps-31Mar17/doc/html/uncompute.html	2017-03-30 09:53:27.000000000 -0600
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
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diff -Naur lammps-31Mar17/doc/html/undump.html lammps-11Apr17/doc/html/undump.html
--- lammps-31Mar17/doc/html/undump.html	2017-03-30 09:53:27.000000000 -0600
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
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diff -Naur lammps-31Mar17/doc/html/unfix.html lammps-11Apr17/doc/html/unfix.html
--- lammps-31Mar17/doc/html/unfix.html	2017-03-30 09:53:27.000000000 -0600
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
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diff -Naur lammps-31Mar17/doc/html/units.html lammps-11Apr17/doc/html/units.html
--- lammps-31Mar17/doc/html/units.html	2017-03-30 09:53:27.000000000 -0600
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+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
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diff -Naur lammps-31Mar17/doc/html/variable.html lammps-11Apr17/doc/html/variable.html
--- lammps-31Mar17/doc/html/variable.html	2017-03-30 09:53:27.000000000 -0600
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
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diff -Naur lammps-31Mar17/doc/html/velocity.html lammps-11Apr17/doc/html/velocity.html
--- lammps-31Mar17/doc/html/velocity.html	2017-03-30 09:53:27.000000000 -0600
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@@ -243,7 +243,7 @@
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-  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
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diff -Naur lammps-31Mar17/doc/html/write_coeff.html lammps-11Apr17/doc/html/write_coeff.html
--- lammps-31Mar17/doc/html/write_coeff.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/write_coeff.html	2017-04-11 09:01:35.433391170 -0600
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+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
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diff -Naur lammps-31Mar17/doc/html/write_data.html lammps-11Apr17/doc/html/write_data.html
--- lammps-31Mar17/doc/html/write_data.html	2017-03-30 09:53:27.000000000 -0600
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+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
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diff -Naur lammps-31Mar17/doc/html/write_dump.html lammps-11Apr17/doc/html/write_dump.html
--- lammps-31Mar17/doc/html/write_dump.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/write_dump.html	2017-04-11 09:01:35.422390844 -0600
@@ -243,7 +243,7 @@
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+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
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diff -Naur lammps-31Mar17/doc/html/write_restart.html lammps-11Apr17/doc/html/write_restart.html
--- lammps-31Mar17/doc/html/write_restart.html	2017-03-30 09:53:27.000000000 -0600
+++ lammps-11Apr17/doc/html/write_restart.html	2017-04-11 09:01:35.428391021 -0600
@@ -242,7 +242,7 @@
       <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> 31 Mar 2017</div>
+  <div style="text-align: center; margin-bottom: -1.5em; display: block"><b>LAMMPS</b> 11 Apr 2017</div>
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diff -Naur lammps-31Mar17/doc/src/Manual.txt lammps-11Apr17/doc/src/Manual.txt
--- lammps-31Mar17/doc/src/Manual.txt	2017-03-30 09:51:55.000000000 -0600
+++ lammps-11Apr17/doc/src/Manual.txt	2017-04-11 08:59:36.754984000 -0600
@@ -1,7 +1,7 @@
 <!-- HTML_ONLY -->
 <HEAD>
 <TITLE>LAMMPS Users Manual</TITLE>
-<META NAME="docnumber" CONTENT="31 Mar 2017 version">
+<META NAME="docnumber" CONTENT="11 Apr 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
-31 Mar 2017 version :c,h4
+11 Apr 2017 version :c,h4
 
 Version info: :h4
 
diff -Naur lammps-31Mar17/doc/src/Section_commands.txt lammps-11Apr17/doc/src/Section_commands.txt
--- lammps-31Mar17/doc/src/Section_commands.txt	2017-03-28 13:11:29.000000000 -0600
+++ lammps-11Apr17/doc/src/Section_commands.txt	2017-04-11 08:45:33.490048000 -0600
@@ -1155,7 +1155,7 @@
 "zero"_dihedral_zero.html,
 "hybrid"_dihedral_hybrid.html,
 "charmm (ko)"_dihedral_charmm.html,
-"charmmfsh"_dihedral_charmm.html,
+"charmmfsw"_dihedral_charmm.html,
 "class2 (ko)"_dihedral_class2.html,
 "harmonic (io)"_dihedral_harmonic.html,
 "helix (o)"_dihedral_helix.html,
diff -Naur lammps-31Mar17/doc/src/Section_howto.txt lammps-11Apr17/doc/src/Section_howto.txt
--- lammps-31Mar17/doc/src/Section_howto.txt	2017-03-30 09:37:29.000000000 -0600
+++ lammps-11Apr17/doc/src/Section_howto.txt	2017-04-11 08:45:33.490048000 -0600
@@ -215,7 +215,7 @@
 "special_bonds"_special_bonds.html charmm
 "special_bonds"_special_bonds.html amber :ul
 
-NOTE: For CHARMM, the newer {charmmfsw} or {charmmfsh} styles were
+NOTE: For CHARMM, newer {charmmfsw} or {charmmfsh} styles were
 released in March 2017.  We recommend they be used instead of the
 older {charmm} styles.  See discussion of the differences on the "pair
 charmm"_pair_charmm.html and "dihedral charmm"_dihedral_charmm.html
diff -Naur lammps-31Mar17/doc/src/Section_packages.txt lammps-11Apr17/doc/src/Section_packages.txt
--- lammps-31Mar17/doc/src/Section_packages.txt	2017-03-28 12:53:42.000000000 -0600
+++ lammps-11Apr17/doc/src/Section_packages.txt	2017-04-11 08:33:25.045871000 -0600
@@ -1308,8 +1308,8 @@
 oxdna2/..."_pair_oxdna2.html, "fix
 nve/dotc/langevin"_fix_nve_dotc_langevin.html
 
-Author: Oliver Henrich at the University of Strathclyde, Glasgow, UK and 
-University of Edinburgh (ohenrich@ph.ed.ac.uk).  
+Author: Oliver Henrich at the University of Strathclyde, Glasgow 
+(oliver.henrich at strath.ac.uk, also ohenrich at ph.ed.ac.uk). 
 Contact him directly if you have any questions.
 
 :line
diff -Naur lammps-31Mar17/doc/src/Section_start.txt lammps-11Apr17/doc/src/Section_start.txt
--- lammps-31Mar17/doc/src/Section_start.txt	2017-03-07 09:48:20.000000000 -0700
+++ lammps-11Apr17/doc/src/Section_start.txt	2017-04-04 14:21:16.010452000 -0600
@@ -455,8 +455,7 @@
 truncation errors and thus do not always need to be performed in
 double precision.  Using the -DFFT_SINGLE setting trades off a little
 accuracy for reduced memory use and parallel communication costs for
-transposing 3d FFT data.  Note that single precision FFTs have only
-been tested with the FFTW3, FFTW2, MKL, and KISS FFT options.
+transposing 3d FFT data.
 
 Step 7 :h6
 
diff -Naur lammps-31Mar17/doc/src/bond_oxdna.txt lammps-11Apr17/doc/src/bond_oxdna.txt
--- lammps-31Mar17/doc/src/bond_oxdna.txt	2017-03-28 12:53:42.000000000 -0600
+++ lammps-11Apr17/doc/src/bond_oxdna.txt	2017-04-11 08:33:25.045871000 -0600
@@ -46,9 +46,7 @@
 and coaxial stacking interaction {oxdna/coaxstk} as well as hydrogen-bonding interaction {oxdna/hbond} (see also documentation of 
 "pair_style oxdna/excv"_pair_oxdna.html). For the oxDNA2 "(Snodin)"_#oxdna2 bond style the analogous pair styles and an additional Debye-Hueckel pair 
 style {oxdna2/dh} have to be defined.
-
-The coefficients 
-in the above example have to be kept fixed and cannot be changed without reparametrizing the entire model.
+The coefficients in the above example have to be kept fixed and cannot be changed without reparametrizing the entire model.
 
 Example input and data files for DNA duplexes can be found in examples/USER/cgdna/examples/oxDNA/ and /oxDNA2/.
 A simple python setup tool which creates single straight or helical DNA strands,
diff -Naur lammps-31Mar17/doc/src/dihedral_charmm.txt lammps-11Apr17/doc/src/dihedral_charmm.txt
--- lammps-31Mar17/doc/src/dihedral_charmm.txt	2017-03-30 09:48:15.000000000 -0600
+++ lammps-11Apr17/doc/src/dihedral_charmm.txt	2017-04-11 08:45:33.490048000 -0600
@@ -10,25 +10,25 @@
 dihedral_style charmm/intel command :h3
 dihedral_style charmm/kk command :h3
 dihedral_style charmm/omp command :h3
-dihedral_style charmmfsh command :h3
+dihedral_style charmmfsw command :h3
 
 [Syntax:]
 
 dihedral_style style :pre
 
-style = {charmm} or {charmmfsh} :ul
+style = {charmm} or {charmmfsw} :ul
 
 [Examples:]
 
 dihedral_style charmm
-dihedral_style charmmfsh
+dihedral_style charmmfsw
 dihedral_coeff  1 0.2 1 180 1.0
 dihedral_coeff  2 1.8 1   0 1.0
 dihedral_coeff  1 3.1 2 180 0.5 :pre
 
 [Description:]
 
-The {charmm} and {charmmfsh} dihedral styles use the potential
+The {charmm} and {charmmfsw} dihedral styles use the potential
 
 :c,image(Eqs/dihedral_charmm.jpg)
 
@@ -38,10 +38,12 @@
 "(Cornell)"_#dihedral-Cornell for a description of the AMBER force
 field.
 
-NOTE: The newer {charmmfsh} style was released in March 2017.  We
+NOTE: The newer {charmmfsw} style was released in March 2017.  We
 recommend it be used instead of the older {charmm} style when running
-a simulation with the CHARMM force field and Coulomb cutoffs, via the
-"pair_style lj/charmmfsw/coul/charmmfsh"_pair_charmm.html command.
+a simulation with the CHARMM force field, either with long-range
+Coulombics or a Coulomb cutoff, via the "pair_style
+lj/charmmfsw/coul/long"_pair_charmm.html and "pair_style
+lj/charmmfsw/coul/charmmfsh"_pair_charmm.html commands respectively.
 Otherwise the older {charmm} style is fine to use.  See the discussion
 below and more details on the "pair_style charmm"_pair_charmm.html doc
 page.
@@ -86,17 +88,18 @@
 computed twice.
 
 For simulations using the CHARMM force field with a Coulomb cutoff,
-the difference between the {charmm} and {charmmfsh} styles is in the
+the difference between the {charmm} and {charmmfsw} styles is in the
 computation of the 1-4 non-bond interactions, though only if the
 distance between the two atoms is within the switching region of the
 pairwise potential defined by the corresponding CHARMM pair style,
 i.e. within the outer cutoff specified for the pair style.  The
-{charmmfsh} style should only be used when using the "pair_style
-lj/charmmfsw/coul/charmmfsh"_pair_charmm.html to make the Coulombic
-pairwise calculations consistent.  Use the {charmm} style with
-long-range Coulombics or the older "pair_style
-lj/charmm/coul/charmm"_pair_charmm.html command.  See the discussion
-on the "CHARMM pair_style"_pair_charmm.html doc page for details.
+{charmmfsw} style should only be used when using the corresponding
+"pair_style lj/charmmfsw/coul/charmmfsw"_pair_charmm.html or
+"pair_style lj/charmmfsw/coul/long"_pair_charmm.html commands.  Use
+the {charmm} style with the older "pair_style"_pair_charmm.html
+commands that have just "charmm" in their style name.  See the
+discussion on the "CHARMM pair_style"_pair_charmm.html doc page for
+details.
 
 Note that for AMBER force fields, which use pair styles with "lj/cut",
 the special_bonds 1-4 scaling factor should be set to the AMBER
@@ -104,7 +107,7 @@
 coeff above) must be set to 0.0. In this case, you can use any pair
 style you wish, since the dihedral does not need any Lennard-Jones
 parameter information and will not compute any 1-4 non-bonded
-interactions.  Likewise the {charmm} or {charmmfsh} styles are
+interactions.  Likewise the {charmm} or {charmmfsw} styles are
 identical in this case since no 1-4 non-bonded interactions are
 computed.
 
diff -Naur lammps-31Mar17/doc/src/fix_adapt.txt lammps-11Apr17/doc/src/fix_adapt.txt
--- lammps-31Mar17/doc/src/fix_adapt.txt	2016-09-20 11:25:49.000000000 -0600
+++ lammps-11Apr17/doc/src/fix_adapt.txt	2017-04-11 08:33:25.045871000 -0600
@@ -22,6 +22,11 @@
     pparam = parameter to adapt over time
     I,J = type pair(s) to set parameter for
     v_name = variable with name that calculates value of pparam
+  {bond} args = bstyle bparam I v_name
+    bstyle = bond style name, e.g. harmonic
+    bparam = parameter to adapt over time
+    I = type bond to set parameter for
+    v_name = variable with name that calculates value of bparam
   {kspace} arg = v_name
     v_name = variable with name that calculates scale factor on K-space terms
   {atom} args = aparam v_name
@@ -42,7 +47,10 @@
 fix 1 all adapt 1 pair soft a 1 1 v_prefactor
 fix 1 all adapt 1 pair soft a 2* 3 v_prefactor
 fix 1 all adapt 1 pair lj/cut epsilon * * v_scale1 coul/cut scale 3 3 v_scale2 scale yes reset yes
-fix 1 all adapt 10 atom diameter v_size :pre
+fix 1 all adapt 10 atom diameter v_size
+
+variable ramp_up equal "ramp(0.01,0.5)"
+fix stretch all adapt 1 bond harmonic r0 1 v_ramp_up :pre
 
 [Description:]
 
@@ -192,6 +200,19 @@
 
 :line
 
+The {bond} keyword uses the specified variable to change the value of
+a bond coefficient over time, very similar to how the {pair} keyword
+operates. The only difference is that now a bond coefficient for a
+given bond type is adapted.
+
+Currently {bond} does not support bond_style hybrid nor bond_style
+hybrid/overlay as bond styles. The only bonds that currently are
+working with fix_adapt are
+
+"harmonic"_bond_harmonic.html: k,r0: type bonds :tb(c=3,s=:)
+
+:line
+
 The {kspace} keyword used the specified variable as a scale factor on
 the energy, forces, virial calculated by whatever K-Space solver is
 defined by the "kspace_style"_kspace_style.html command.  If the
diff -Naur lammps-31Mar17/doc/src/kspace_modify.txt lammps-11Apr17/doc/src/kspace_modify.txt
--- lammps-31Mar17/doc/src/kspace_modify.txt	2017-03-17 16:54:51.000000000 -0600
+++ lammps-11Apr17/doc/src/kspace_modify.txt	2017-04-11 08:33:25.045871000 -0600
@@ -290,9 +290,10 @@
 {force/disp/real} or {force/disp/kspace} keywords, or
 the code will stop with an error message. When this option is set to
 {yes}, the error message will not appear and the simulation will start.
-For a typical application, using the automatic parameter generation will provide
-simulations that are either inaccurate or slow. Using this option is thus not
-recommended. For guidelines on how to obtain good parameters, see the "How-To"_Section_howto.html#howto_23 discussion.
+For a typical application, using the automatic parameter generation
+will provide simulations that are either inaccurate or slow. Using this
+option is thus not recommended. For guidelines on how to obtain good
+parameters, see the "How-To"_Section_howto.html#howto_24 discussion.
 
 [Restrictions:] none
 
diff -Naur lammps-31Mar17/doc/src/pair_buck.txt lammps-11Apr17/doc/src/pair_buck.txt
--- lammps-31Mar17/doc/src/pair_buck.txt	2016-11-04 11:01:14.000000000 -0600
+++ lammps-11Apr17/doc/src/pair_buck.txt	2017-04-06 14:53:10.077474000 -0600
@@ -75,7 +75,7 @@
 :c,image(Eqs/pair_buck.jpg)
 
 where rho is an ionic-pair dependent length parameter, and Rc is the
-cutoff on both terms.
+cutoff on both terms. 
 
 The styles with {coul/cut} or {coul/long} or {coul/msm} add a
 Coulombic term as described for the "lj/cut"_pair_lj.html pair styles.
@@ -120,6 +120,9 @@
 cutoff2 (distance units) :ul
 
 The second coefficient, rho, must be greater than zero.
+The coefficients A, rho, and C can be written as analytical expressions
+of epsilon and sigma, in analogy to the Lennard-Jones potential
+"(Khrapak)"_#Khrapak.
 
 The latter 2 coefficients are optional.  If not specified, the global
 A,C and Coulombic cutoffs are used.  If only one cutoff is specified,
@@ -127,7 +130,6 @@
 this type pair.  If both coefficients are specified, they are used as
 the A,C and Coulombic cutoffs for this type pair.  You cannot specify
 2 cutoffs for style {buck}, since it has no Coulombic terms.
-
 For {buck/coul/long} only the LJ cutoff can be specified since a
 Coulombic cutoff cannot be specified for an individual I,J type pair.
 All type pairs use the same global Coulombic cutoff specified in the
@@ -194,3 +196,6 @@
 "pair_coeff"_pair_coeff.html, "pair_style born"_pair_born.html
 
 [Default:] none
+
+:link(Khrapak)
+[(Khrapak)] Khrapak, Chaudhuri, and Morfill, J Chem Phys, 134, 054120 (2011).
diff -Naur lammps-31Mar17/doc/src/pair_charmm.txt lammps-11Apr17/doc/src/pair_charmm.txt
--- lammps-31Mar17/doc/src/pair_charmm.txt	2017-03-30 09:48:15.000000000 -0600
+++ lammps-11Apr17/doc/src/pair_charmm.txt	2017-04-11 08:45:33.490048000 -0600
@@ -99,9 +99,10 @@
 
 NOTE: The newer {charmmfsw} or {charmmfsh} styles were released in
 March 2017.  We recommend they be used instead of the older {charmm}
-styles.  Eventually code from the new styles will propagate into the
-related pair styles (e.g. implicit, accelerator, free energy
-variants).
+styles.  This includes the newer "dihedral_style
+charmmfsw"_dihedral_charmm.html command.  Eventually code from the new
+styles will propagate into the related pair styles (e.g. implicit,
+accelerator, free energy variants).
 
 The general CHARMM formulas are as follows
 
diff -Naur lammps-31Mar17/examples/cmap/in.cmap lammps-11Apr17/examples/cmap/in.cmap
--- lammps-31Mar17/examples/cmap/in.cmap	2016-09-23 16:59:35.000000000 -0600
+++ lammps-11Apr17/examples/cmap/in.cmap	2017-04-11 08:49:45.172852000 -0600
@@ -9,11 +9,10 @@
 atom_style      full
 bond_style      harmonic
 angle_style     charmm
-dihedral_style  charmm
+dihedral_style  charmmfsw
 improper_style  harmonic
 
-pair_style      lj/charmm/coul/charmm 8 12
-#pair_style      lj/charmmfsw/coul/charmmfsh 8 12
+pair_style      lj/charmmfsw/coul/charmmfsh 8 12
 pair_modify     mix arithmetic
 
 fix             cmap all cmap charmm22.cmap
diff -Naur lammps-31Mar17/examples/cmap/log.5Oct16.cmap.g++.1 lammps-11Apr17/examples/cmap/log.5Oct16.cmap.g++.1
--- lammps-31Mar17/examples/cmap/log.5Oct16.cmap.g++.1	2016-10-06 12:03:27.000000000 -0600
+++ lammps-11Apr17/examples/cmap/log.5Oct16.cmap.g++.1	1969-12-31 17:00:00.000000000 -0700
@@ -1,201 +0,0 @@
-LAMMPS (5 Oct 2016)
-# Created by charmm2lammps v1.8.2.6 beta on Thu Mar  3 20:56:57 EST 2016
-
-units           real
-neigh_modify    delay 2 every 1
-#newton          off
-
-boundary        p p p
-
-atom_style      full
-bond_style      harmonic
-angle_style     charmm
-dihedral_style  charmm
-improper_style  harmonic
-
-pair_style      lj/charmm/coul/charmm 8 12
-#pair_style      lj/charmmfsw/coul/charmmfsh 8 12
-pair_modify     mix arithmetic
-
-fix             cmap all cmap charmm22.cmap
-Reading potential file charmm22.cmap with DATE: 2016-09-26
-fix_modify      cmap energy yes
-
-read_data       gagg.data fix cmap crossterm CMAP
-  orthogonal box = (-34.4147 -36.1348 -39.3491) to (45.5853 43.8652 40.6509)
-  1 by 1 by 1 MPI processor grid
-  reading atoms ...
-  34 atoms
-  scanning bonds ...
-  4 = max bonds/atom
-  scanning angles ...
-  6 = max angles/atom
-  scanning dihedrals ...
-  12 = max dihedrals/atom
-  scanning impropers ...
-  1 = max impropers/atom
-  reading bonds ...
-  33 bonds
-  reading angles ...
-  57 angles
-  reading dihedrals ...
-  75 dihedrals
-  reading impropers ...
-  7 impropers
-  4 = max # of 1-2 neighbors
-  7 = max # of 1-3 neighbors
-  13 = max # of 1-4 neighbors
-  16 = max # of special neighbors
-
-special_bonds   charmm
-fix             1 all nve
-
-#fix             1 all nvt temp 300 300 100.0
-#fix             2 all shake 1e-9 500 0 m 1.0
-
-velocity        all create 0.0 12345678 dist uniform
-
-thermo          1000
-thermo_style    custom step ecoul evdwl ebond eangle edihed f_cmap eimp
-timestep        2.0
-
-run             100000
-Neighbor list info ...
-  1 neighbor list requests
-  update every 1 steps, delay 2 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 14
-  ghost atom cutoff = 14
-  binsize = 7 -> bins = 12 12 12
-Memory usage per processor = 14.6355 Mbytes
-Step E_coul E_vdwl E_bond E_angle E_dihed f_cmap E_impro 
-       0    26.542777  -0.93822087    1.2470497    4.8441789    4.5432816    -1.473352   0.10453023 
-    1000    28.673005  -0.47724367   0.80029132     3.151679    4.4684446   -2.3928648   0.18604953 
-    2000     27.67955    -1.170342   0.72018905    4.0400131    4.4713764   -2.5490207   0.21834436 
-    3000    29.256656  -0.35856055   0.73303546    3.7411606    4.4710568   -2.8939692   0.37728884 
-    4000    30.097549   -1.1353905   0.79007053    3.0688444    4.4091469   -2.3383587   0.20743631 
-    5000    28.357525   -1.0723742    0.9180297    3.6579424    4.8792664   -2.3185572  0.088366962 
-    6000    29.214175  -0.95299225   0.81926009    3.6805429    4.6742897   -2.9343577   0.26697813 
-    7000    27.018614  -0.52423475   0.72502764    3.8840137    4.7780956   -2.3916009   0.24952584 
-    8000    29.682167   -1.0939711   0.76111486    3.1090116    4.9359719   -2.5662984    0.1411154 
-    9000    27.909695  -0.80905986   0.78952533     4.203187    4.1301204    -2.000402  0.088859259 
-   10000    27.480298  -0.86273377    1.1293962    4.3857421     4.899282   -3.3895621   0.12126215 
-   11000    28.303203   -1.0221152   0.62762348     4.055414    4.5863024   -2.5842816   0.17996907 
-   12000    28.311127  -0.94227367   0.91859012    3.6673926    4.7018632    -3.902715   0.30065704 
-   13000    30.818607   -1.5220116   0.95710386    3.3364371     4.543427   -3.0423067   0.16712905 
-   14000    27.643736   -1.0144117   0.95806952    4.1046912     4.800236   -4.0534389   0.29293405 
-   15000    27.660491   -1.0390086   0.78061056    4.1139174    4.7197202   -2.3670379   0.22126985 
-   16000    27.845157  -0.63654502   0.78007478    3.9365994     4.949418   -3.1470214   0.22335355 
-   17000     28.44772   -1.0255112   0.70402007    4.0573343    4.2887527   -2.2099596  0.048050962 
-   18000    27.128323  -0.96218536    1.1327159    4.3222585     4.326607   -2.2881766   0.13491257 
-   19000    27.337633  -0.78999574   0.80152298    4.2239689    4.7073478   -2.2924164   0.12710292 
-   20000    27.780537  -0.46458072   0.79707671    3.7232618     4.943417   -2.5290628   0.26191223 
-   21000    26.435484   -0.7803224    1.0753217    4.4196051    5.9945933   -2.3340925   0.16448475 
-   22000    28.619429   -1.1623149    0.9401731    3.8508844    5.1636737   -2.5551846   0.25318434 
-   23000    28.399338  -0.79700962   0.85575503     4.488526    4.5975422   -2.5663549   0.13601693 
-   24000    29.645532    -1.158744   0.83180313    3.8193399      4.60319   -2.6847864   0.24260466 
-   25000    28.695339   -1.4802204   0.76583757    3.6786272    4.8959496   -2.3627896  0.080867326 
-   26000    28.149711    -1.029689   0.79383806    3.7885067    4.3345813   -2.1041553   0.14598209 
-   27000    29.580373   -1.0525813    1.0262723    3.7767318    4.6119758   -2.2802386  0.088556038 
-   28000     28.44308  -0.93411225    0.8794395     3.948079     4.780246   -2.1814583   0.14340149 
-   29000    29.335621   -1.6087988   0.71803091    3.7819186    4.6688385   -2.4282242   0.16061111 
-   30000    28.706138   -1.3938241   0.67713818     4.031275    4.4756505   -2.1807056   0.11461356 
-   31000    27.451944  0.010297225   0.65064883    3.6402029    4.3607811   -2.5511516   0.12637237 
-   32000    27.070878    -1.103158    1.1932199    5.1329709    4.5201653   -2.2224479   0.11215427 
-   33000    29.889976   -1.6228316   0.69407996    3.5361991    4.3502767   -1.9847454   0.09089949 
-   34000    28.223151    -0.927208     1.043253    3.4650939    5.1028142   -2.8127219   0.10648823 
-   35000    27.985986  -0.48153861   0.63878449    3.3724641    4.9551679   -2.6565919   0.12123115 
-   36000    28.580688   -1.4500694     1.055762    4.0490064     4.423782   -2.3103578  0.072747638 
-   37000    29.192947  -0.49678176    1.1146731    2.9233947    4.5738603   -2.4376144   0.22874047 
-   38000    26.954594  -0.53812359   0.79230685    4.3356989    5.0284656   -2.3791255    0.0486081 
-   39000    27.567555  -0.57870028   0.73614374     4.191991    4.9209556   -2.6122044   0.08635571 
-   40000    28.494172  -0.79057135   0.79072816    4.1893209    4.4826919   -2.4179635   0.14612898 
-   41000     28.44904   -1.1002948   0.93405654    4.3586358    4.4338415   -2.2950944   0.15705834 
-   42000     28.95725   -1.0297067    1.1632348     4.274711    4.9979487   -2.7611464   0.15944725 
-   43000    28.640394  -0.70938882   0.68100893    3.1844315    5.1817454   -2.2837487   0.14189233 
-   44000    27.997558   -1.0115099   0.59125208    4.0883422    4.6033907   -2.2775964  0.094273258 
-   45000     27.67163  -0.67992747    1.1225552    3.9020703    4.8171056   -2.1952679  0.041418433 
-   46000    28.822607   -0.6687953   0.74160059    3.3193715    4.5546965   -2.3024572  0.047569065 
-   47000     29.20147   -1.4456785   0.79223353    3.8288813    4.5811826   -2.5154936  0.061230141 
-   48000    27.843026   -1.0222301   0.87322137    4.3432743    4.4266307   -2.1414153   0.06802794 
-   49000    28.199573   -1.1887794    1.2781088    4.0779644    4.5881353    -2.319775  0.094803547 
-   50000    28.759212    -1.354416   0.68534569    3.8394841    4.2308134   -2.1281844    0.1395951 
-   51000    27.876455   -1.5705462   0.76557156    4.5335223     4.523708    -2.203702   0.14679803 
-   52000    27.930587   -1.2277489   0.96071516     3.960953    5.1152188   -2.4101451  0.060949521 
-   53000    27.031236   -1.4746477    1.2341141    5.0540975    4.3656865   -2.1288513  0.092725656 
-   54000    28.809394   -1.1162427   0.94350207    3.4013958    4.4755547   -2.3342811   0.18855912 
-   55000    28.948415   -1.1560418    0.6260139    3.5386373    4.5244978    -2.340212   0.17474657 
-   56000    28.048368  -0.95784532   0.76432571    4.1404665    4.4570033   -2.0899628  0.045693628 
-   57000    28.707642    -1.366574    0.9907873     3.729903    4.3131997   -2.2777698  0.065420213 
-   58000    26.361663   -1.0424403    1.0452563    5.0977108    4.7035231   -2.3101244   0.13671642 
-   59000    29.218218   -1.2210564   0.62435875    3.4236327    4.5481681   -2.1575943  0.037984042 
-   60000    27.655546   -1.1053224   0.86323501    3.7641375    4.8946898   -2.2422249  0.077725979 
-   61000    27.252108   -1.3744824    1.1150806    5.0444848    4.4878135   -2.2743829  0.058331257 
-   62000    27.163469   -1.1715781   0.72099321    4.5295501    4.9509918   -2.2993961  0.050401105 
-   63000    29.581575   -1.2238537   0.86303245    3.1194038    5.2218965   -2.5002427  0.055032632 
-   64000    27.897822   -1.1011516   0.74540883    4.2869228    4.3394269   -2.2552393    0.1403321 
-   65000    27.083245   -1.0633392   0.92771724    5.0805224    4.2747962   -2.2388039  0.064196692 
-   66000    29.072723   -1.5514209   0.89798805    4.2600224    4.4261812   -2.3524752   0.15067414 
-   67000    27.308181  -0.72224802   0.97109517    4.5074578    4.4559352   -2.1381121  0.089297603 
-   68000    27.505686  -0.43855431   0.80785812    4.1917251    5.0157721   -2.3382145   0.11105164 
-   69000    29.041681  -0.64735378   0.89874684    3.3891579    4.3753361   -2.2320941   0.14716747 
-   70000    29.735756   -1.7061457    0.9206878    3.5767878    4.3851664   -2.2516304  0.097196062 
-   71000    28.224352  -0.92217702   0.86093586    3.9507157    4.5596589   -2.2173397  0.089116669 
-   72000    29.282336    -1.056142   0.65185725    3.8735742    4.4839333   -2.4314756  0.071909704 
-   73000    26.257283  -0.64273826   0.98300685     5.063943     5.045958   -2.5544375    0.2180275 
-   74000    28.825119  -0.97736616   0.87201848      3.55875    4.3653309   -2.2303567  0.098963875 
-   75000    29.239507  -0.96508809   0.74517323    3.4306236    4.7651921   -2.6077732   0.17883654 
-   76000    27.349841  -0.50990238    1.1183613    4.4252451    4.4097775   -2.4125794   0.18483606 
-   77000    28.130197   -1.4081219   0.94921357    4.2572132    4.5162849   -2.4013797  0.073744606 
-   78000    28.235774   -0.9214321    0.6324981    3.8697686    4.8092154   -2.2272847  0.092108346 
-   79000    26.732846  -0.55949486    1.0989617    5.0088609    4.4930687    -2.277945   0.03855146 
-   80000    28.529208  -0.94244671   0.79407482     3.961106    4.3930011   -2.3127726  0.091124948 
-   81000    29.603852   -1.6116062     1.060847    3.7824932     4.151001   -1.9139868   0.19875986 
-   82000    28.232876   -1.1833011    1.0182713    3.4195758    5.1394333   -2.4632697   0.28501012 
-   83000    29.565482   -1.3479552   0.99056973    3.7851802    4.4781011   -2.7872481    0.2031991 
-   84000    28.780274   -1.3073882    1.0512637     4.004638     4.502282   -2.3789146  0.015656202 
-   85000    27.262312   -1.1305346     1.203524    4.7938623    4.1747105   -2.0952844  0.054240361 
-   86000    28.157348   -1.0662817   0.81163796    3.9912709    4.8320213    -2.255237   0.14698333 
-   87000    28.445543   -1.3365026   0.78156195    4.4767689    4.4457575   -2.5008786   0.13879386 
-   88000    27.656717   -1.1490599   0.87974869    4.4629952    4.7023033   -2.3258145  0.081904139 
-   89000    28.838821    -1.020709   0.85587929    3.7110705    4.4938307   -2.4914483   0.11447952 
-   90000    27.356497  -0.59107077   0.81879666    4.5209332    4.4703836   -2.3806717  0.071307775 
-   91000    27.780445  -0.80564513   0.94752313    3.8468943    4.2924253   -2.1011134    0.1118672 
-   92000    28.555276   -1.3514732   0.80826674    3.9590742    4.5775954   -2.4891232  0.054254978 
-   93000    28.747267   -1.2133243   0.75507246    4.1319789    4.9048611   -2.4913887   0.13045693 
-   94000    27.479343  -0.69973695   0.99696121    3.5966229     4.549025   -2.4155312   0.41745762 
-   95000    27.726945   -1.1905026    1.1120842    4.7433275    4.5386861   -2.7947142   0.33671682 
-   96000    28.021114   -1.0341645    0.6663033    4.2397505    4.6203984   -1.9904034   0.10972565 
-   97000    28.382022   -1.3916008     1.180588    4.0729621    4.6741792    -2.554927   0.13462346 
-   98000    27.895969   -0.7496449    1.3072185    4.2611888    4.3726077   -2.1320701   0.15376665 
-   99000    28.517889   -1.2183957     1.279778     3.957647    4.2638434   -2.2888407  0.042705003 
-  100000    28.109211   -1.2538948   0.83671785    4.3734766     4.544545   -2.3076497  0.042189096 
-Loop time of 2.84552 on 1 procs for 100000 steps with 34 atoms
-
-Performance: 6072.706 ns/day, 0.004 hours/ns, 35142.973 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    | 0.94207    | 0.94207    | 0.94207    |   0.0 | 33.11
-Bond    | 1.6125     | 1.6125     | 1.6125     |   0.0 | 56.67
-Neigh   | 0.0073986  | 0.0073986  | 0.0073986  |   0.0 |  0.26
-Comm    | 0.012739   | 0.012739   | 0.012739   |   0.0 |  0.45
-Output  | 0.00075531 | 0.00075531 | 0.00075531 |   0.0 |  0.03
-Modify  | 0.21483    | 0.21483    | 0.21483    |   0.0 |  7.55
-Other   |            | 0.05524    |            |       |  1.94
-
-Nlocal:    34 ave 34 max 34 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Nghost:    0 ave 0 max 0 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-Neighs:    395 ave 395 max 395 min
-Histogram: 1 0 0 0 0 0 0 0 0 0
-
-Total # of neighbors = 395
-Ave neighs/atom = 11.6176
-Ave special neighs/atom = 9.52941
-Neighbor list builds = 237
-Dangerous builds = 0
-Total wall time: 0:00:02
diff -Naur lammps-31Mar17/examples/cmap/log.5Oct16.cmap.g++.4 lammps-11Apr17/examples/cmap/log.5Oct16.cmap.g++.4
--- lammps-31Mar17/examples/cmap/log.5Oct16.cmap.g++.4	2016-10-06 12:03:27.000000000 -0600
+++ lammps-11Apr17/examples/cmap/log.5Oct16.cmap.g++.4	1969-12-31 17:00:00.000000000 -0700
@@ -1,201 +0,0 @@
-LAMMPS (5 Oct 2016)
-# Created by charmm2lammps v1.8.2.6 beta on Thu Mar  3 20:56:57 EST 2016
-
-units           real
-neigh_modify    delay 2 every 1
-#newton          off
-
-boundary        p p p
-
-atom_style      full
-bond_style      harmonic
-angle_style     charmm
-dihedral_style  charmm
-improper_style  harmonic
-
-pair_style      lj/charmm/coul/charmm 8 12
-#pair_style      lj/charmmfsw/coul/charmmfsh 8 12
-pair_modify     mix arithmetic
-
-fix             cmap all cmap charmm22.cmap
-Reading potential file charmm22.cmap with DATE: 2016-09-26
-fix_modify      cmap energy yes
-
-read_data       gagg.data fix cmap crossterm CMAP
-  orthogonal box = (-34.4147 -36.1348 -39.3491) to (45.5853 43.8652 40.6509)
-  1 by 2 by 2 MPI processor grid
-  reading atoms ...
-  34 atoms
-  scanning bonds ...
-  4 = max bonds/atom
-  scanning angles ...
-  6 = max angles/atom
-  scanning dihedrals ...
-  12 = max dihedrals/atom
-  scanning impropers ...
-  1 = max impropers/atom
-  reading bonds ...
-  33 bonds
-  reading angles ...
-  57 angles
-  reading dihedrals ...
-  75 dihedrals
-  reading impropers ...
-  7 impropers
-  4 = max # of 1-2 neighbors
-  7 = max # of 1-3 neighbors
-  13 = max # of 1-4 neighbors
-  16 = max # of special neighbors
-
-special_bonds   charmm
-fix             1 all nve
-
-#fix             1 all nvt temp 300 300 100.0
-#fix             2 all shake 1e-9 500 0 m 1.0
-
-velocity        all create 0.0 12345678 dist uniform
-
-thermo          1000
-thermo_style    custom step ecoul evdwl ebond eangle edihed f_cmap eimp
-timestep        2.0
-
-run             100000
-Neighbor list info ...
-  1 neighbor list requests
-  update every 1 steps, delay 2 steps, check yes
-  max neighbors/atom: 2000, page size: 100000
-  master list distance cutoff = 14
-  ghost atom cutoff = 14
-  binsize = 7 -> bins = 12 12 12
-Memory usage per processor = 15.9307 Mbytes
-Step E_coul E_vdwl E_bond E_angle E_dihed f_cmap E_impro 
-       0    26.542777  -0.93822087    1.2470497    4.8441789    4.5432816    -1.473352   0.10453023 
-    1000    28.673005  -0.47724367   0.80029132     3.151679    4.4684446   -2.3928648   0.18604953 
-    2000     27.67955    -1.170342   0.72018905    4.0400131    4.4713764   -2.5490207   0.21834436 
-    3000    29.256656  -0.35856055   0.73303546    3.7411606    4.4710568   -2.8939692   0.37728884 
-    4000    30.097549   -1.1353905   0.79007053    3.0688444    4.4091469   -2.3383587   0.20743631 
-    5000    28.357525   -1.0723742    0.9180297    3.6579424    4.8792663   -2.3185572  0.088366962 
-    6000    29.214175  -0.95299239   0.81926011    3.6805428    4.6742897   -2.9343578   0.26697816 
-    7000    27.018614  -0.52423469   0.72502751    3.8840141    4.7780958   -2.3916014   0.24952572 
-    8000    29.682494   -1.0940368   0.76113051    3.1089345    4.9357863   -2.5662256   0.14112613 
-    9000    27.853918   -0.7913741   0.79503268    4.2177256     4.146792     -2.00475  0.090585666 
-   10000     27.13754  -0.80551128    1.1325023    4.4718283    5.2460631   -3.4947725   0.11893125 
-   11000    28.277434   -1.4897448   0.90075953    4.1895717    4.3594269   -1.9553119  0.090222212 
-   12000    28.630973    -1.222206   0.67796385    3.3905661    4.9691334   -2.9052721   0.13897658 
-   13000    28.593007  -0.95684026   0.75585196    3.7242568    4.7417932   -2.3893117    0.2074121 
-   14000    26.147115   -0.6026921   0.93591488    5.1292829    4.9821952   -2.2571835   0.11872421 
-   15000     26.29432  -0.82424162     1.048979    4.5569495    5.1189308   -2.9750422   0.16195676 
-   16000    29.189992  -0.80998247   0.74093508    3.8299275    4.4536688   -2.5497538   0.19155639 
-   17000    25.878012   -0.3519646    1.0988924    4.7359591    5.3923098   -2.7211029   0.13405223 
-   18000    27.726135  -0.28229987   0.63072344    4.1777888    4.7237271   -2.2177157   0.15939372 
-   19000    27.153504  -0.66477422   0.77910129    4.2036117     5.113851   -2.3494315  0.094793307 
-   20000    28.044833   -1.2835827   0.88745367    3.9955526    4.5077788   -3.0116467   0.17197859 
-   21000    27.205696  -0.74090037    1.0023251    4.3421733     4.912671   -2.3473271   0.26089356 
-   22000    27.385785  -0.93740972   0.84554838     4.562743     4.883866   -2.2110955   0.11573301 
-   23000     27.05534  -0.95605442   0.96719024    3.9277618    5.0359014   -2.6135949   0.21368061 
-   24000    28.273378  -0.97543103    0.8983443    4.2067985    4.4782971   -2.4230505   0.30311692 
-   25000    27.477789  -0.20383849    0.8380706    3.8037992    4.8312504   -2.5831791  0.093843746 
-   26000    30.344199   -1.9773473   0.92882437    3.7821405    4.5176677   -2.3020968    0.2194307 
-   27000     27.32767   -0.9803839   0.92988865    3.7611603    5.0328211   -2.4647656   0.18213622 
-   28000     27.34208    -1.037938   0.74488346    4.1727342    4.7056812   -2.2718346   0.17741362 
-   29000    27.682777  -0.51006495   0.57074224    4.7332237    4.7080462   -2.0491512    0.2130517 
-   30000    24.925731   0.13670248   0.84976065    4.4143762    6.0677158   -3.5479173   0.28059419 
-   31000    28.623419  -0.90725708    1.0710501    3.6930688    4.6639301   -2.2225373   0.20988139 
-   32000    27.732286   -1.1948367   0.89230134    4.4398373    4.8923907   -3.5849327   0.49167488 
-   33000    28.800772   -1.5319589   0.93455495    4.1634728    4.6107706   -2.3503486   0.22636535 
-   34000    27.374398   -1.0957453   0.89450276    3.9829508     4.991786   -2.3548834   0.15869465 
-   35000     28.38753  -0.89261166   0.90000776     3.536864    4.4293294   -2.4218118   0.10640557 
-   36000    27.713974  0.088038031   0.85190574    3.8969601    4.6256355   -2.7935475   0.34671662 
-   37000     29.13007    -1.378597   0.74412556     3.131538    4.6458653   -2.9373734   0.38035616 
-   38000    28.556573   -1.4055344     1.139984    4.0035753    4.2938358    -2.489329   0.25338326 
-   39000    26.447036   -1.1829705   0.87032438    5.0804461    4.5772023   -2.7346466   0.32165802 
-   40000    27.991454  -0.64295679   0.61020872     4.165871    4.4623087   -2.2244194   0.13826991 
-   41000    29.483296   -1.2400745   0.66926627    3.3473666    4.5766617   -2.3051145   0.12171554 
-   42000    26.948627   -1.2162288    1.1440628    4.3993073    5.1176533   -2.4734485   0.15497709 
-   43000     28.04459  -0.26543193   0.83647367    3.5160747    4.6964397   -2.2805068   0.12618821 
-   44000    28.213608    -1.216128    0.9132792    4.0206483    4.9483599   -2.3387049   0.10132022 
-   45000    28.283506   -1.0390766   0.86113772     4.504509    4.7209088   -2.3043085   0.14588362 
-   46000    27.433853  -0.57912107   0.78448334    4.5998579    5.1181394   -2.6165094   0.18722528 
-   47000    27.552939   -1.1128925   0.80087638    4.3448001    4.8062869   -2.4296883    0.2702479 
-   48000    28.874034   -1.3242519   0.71770727    3.5648565    4.4671824   -2.2608958   0.16115978 
-   49000    29.216186   -1.2210307   0.76937497    3.9260628    4.7550577   -2.7316081  0.085505664 
-   50000    28.065856   -1.1545547   0.86953819    4.4137666     4.732157   -2.4450867   0.23320539 
-   51000    26.308975  -0.99728352   0.90408444    4.2400186    5.6340425   -2.2090554  0.079882158 
-   52000    28.517571   -1.5027398   0.83520278    3.8176552    4.3001251   -2.0731682    0.1665375 
-   53000     28.77579   -1.3564268   0.97253881    3.6866407    4.8532347   -2.5330776   0.17668411 
-   54000    29.135315   -1.0994106   0.67605671    3.6819254    4.3134408   -1.9796929  0.076951331 
-   55000    26.168938  -0.76247492   0.88784685    4.6533473    6.0484793   -2.1334561  0.036876985 
-   56000    27.471775  -0.68648837    1.0576168    4.0354311    4.4767052   -2.2368959   0.24950568 
-   57000    29.787083   -1.4914384    1.0702944    3.5388133    4.5173097   -2.6694464   0.27937092 
-   58000    28.705448   -1.3016617   0.63337853    3.9552713    4.4119825   -1.8774657   0.17540021 
-   59000    29.130155  -0.91647363   0.84384883    3.1076903    4.5346348   -2.3457338   0.16674486 
-   60000    26.874199  -0.81598034    1.3432151    5.1322624    4.9545484   -2.9566615   0.25950486 
-   61000    27.401306  -0.82895856    1.1636949     4.020154    4.5745928    -2.601466   0.18061051 
-   62000    28.930313   -1.5231967   0.85173243    4.3517328    4.4878662   -2.5859205    0.1755493 
-   63000     26.56874  0.026147233   0.60836216    4.4231618    4.4390677   -2.1721849   0.08594237 
-   64000    26.729023  -0.76953985   0.76734633    4.5104288    5.0886456   -2.2118551   0.11339216 
-   65000    28.900471   -1.3901477   0.86194657    4.2774976     4.498325   -2.3672362   0.20668335 
-   66000    26.884253  -0.21198879   0.98509625    4.0843117    4.4344172   -2.3289416   0.23631017 
-   67000    27.210888  -0.84075559    1.0396559    4.7253607    4.4314589   -2.2985702   0.19326507 
-   68000    28.042102   -1.1898715     1.053534    3.8748712    4.4358449   -2.3998723    0.2431659 
-   69000    28.939141   -1.6968936   0.98155912    4.0460838    5.0075204   -2.5547087   0.28645131 
-   70000     27.15577  -0.85202797    1.1469079    4.7645212    4.6133209   -2.3410451  0.086576572 
-   71000    25.507417  -0.27780727   0.95157881    4.8759406     4.853401   -2.9598705   0.41011008 
-   72000    29.804703   -1.4847015   0.96345767    3.6797304    4.3678377   -2.4594626   0.14480206 
-   73000    28.602798   -1.4906143   0.72497266    4.2442974    4.5360598   -2.3621638   0.14385651 
-   74000      28.4928  -0.91319873    1.0377472    3.8033127    4.3991601   -2.4051911  0.095567428 
-   75000     26.38168  -0.70733237    1.1557817     5.697939    4.5935618   -2.4285007  0.058980519 
-   76000     27.16626  -0.83631031   0.84844246    4.7460887    4.5801472   -2.1260014   0.12845946 
-   77000    29.040661   -1.3089499   0.80285084     4.664804    4.5215895   -2.6861939   0.13215598 
-   78000    27.477871   -1.0600977   0.88595045    4.6264017    5.4095605    -2.474411   0.10987174 
-   79000    26.151797  -0.55779685   0.91382436      4.99964    4.9184022   -2.2547241   0.22854038 
-   80000     28.14523  -0.54460026    0.8982411    3.5374555    4.3785673   -2.3196807  0.088567964 
-   81000    29.029941   -1.6467789   0.79042284    3.7269899    4.7407998   -2.3795824    0.1408727 
-   82000    27.920287  -0.72798032    1.0076975    3.4449461    4.5621371   -2.8239074   0.25103454 
-   83000    29.131054    -1.114367   0.76887285     3.459639    4.5163922    -2.607825   0.19991648 
-   84000    28.249768  -0.69944068    1.0510846    4.0436296    4.6430538   -2.4213355  0.077299966 
-   85000     28.06888  -0.62132922   0.91829312    4.1294147    4.3099557    -2.354063   0.15866186 
-   86000    28.664264   -1.1022906   0.87831695    4.5773522    4.6045802   -2.9206875   0.33950063 
-   87000    27.960967   -1.2852756   0.77694253    3.9011301    4.9114139   -3.2374868    0.3068138 
-   88000    27.190678   -1.2803268    1.1545301    4.5769709    5.2404761   -2.3825838   0.10356039 
-   89000    26.792931  -0.44516641    1.0236244    4.2007253    4.7098685   -2.3608551  0.034447062 
-   90000    27.173991  -0.87185611     1.065719    4.1953618    4.6856408   -2.6539232   0.16957757 
-   91000    28.626528    -1.239257   0.89524651    4.7048012    4.6344201   -2.7367901   0.43534143 
-   92000    27.661812    -1.109044   0.92817391    5.0294489    4.3890711   -2.4108669   0.12570139 
-   93000    28.156793   -1.0820907   0.92812693     4.938385    4.4901426   -2.4023366   0.30135781 
-   94000    28.842149   -1.3524969    1.1451109    4.3125908    4.6959035   -2.6747199    0.2254607 
-   95000    27.862247   -1.2119045    1.0218976    4.2614082    4.4931316   -2.6902934   0.16345201 
-   96000    27.084973  -0.93738328    1.3984324    4.5647189    4.4232205   -2.2834097   0.11217888 
-   97000    27.587078  -0.89397255   0.78218462    3.8944421    4.3981479   -2.4205318   0.16570942 
-   98000    27.981746   -1.2380545   0.84847869     4.311441    4.7340377   -2.4270441  0.023565612 
-   99000    27.476625   -0.8569146   0.82550381    4.1656963    4.4064921   -2.4169708     0.160814 
-  100000    26.121325  -0.63610855    1.0803389    4.9257118    4.7073263   -2.4010334  0.066303044 
-Loop time of 2.693 on 4 procs for 100000 steps with 34 atoms
-
-Performance: 6416.646 ns/day, 0.004 hours/ns, 37133.367 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    | 0.065478   | 0.2501     | 0.63682    |  45.6 |  9.29
-Bond    | 0.066944   | 0.44772    | 0.88814    |  53.7 | 16.63
-Neigh   | 0.0076509  | 0.0077319  | 0.0078275  |   0.1 |  0.29
-Comm    | 0.57917    | 1.4166     | 1.9823     |  46.9 | 52.60
-Output  | 0.0033755  | 0.0035856  | 0.0037644  |   0.2 |  0.13
-Modify  | 0.03866    | 0.1366     | 0.23978    |  24.6 |  5.07
-Other   |            | 0.4306     |            |       | 15.99
-
-Nlocal:    8.5 ave 15 max 2 min
-Histogram: 1 1 0 0 0 0 0 0 1 1
-Nghost:    25.5 ave 32 max 19 min
-Histogram: 1 1 0 0 0 0 0 0 1 1
-Neighs:    98.75 ave 257 max 18 min
-Histogram: 1 1 1 0 0 0 0 0 0 1
-
-Total # of neighbors = 395
-Ave neighs/atom = 11.6176
-Ave special neighs/atom = 9.52941
-Neighbor list builds = 294
-Dangerous builds = 0
-Total wall time: 0:00:02
diff -Naur lammps-31Mar17/lib/voronoi/Install.py lammps-11Apr17/lib/voronoi/Install.py
--- lammps-31Mar17/lib/voronoi/Install.py	1969-12-31 17:00:00.000000000 -0700
+++ lammps-11Apr17/lib/voronoi/Install.py	2017-04-11 08:22:33.185313000 -0600
@@ -0,0 +1,116 @@
+#!/usr/bin/env python
+
+# install.py tool to download, unpack, build, and link to the Voro++ library
+# used to automate the steps described in the README file in this dir
+
+import sys,os,re,urllib,commands
+
+# help message
+
+help = """
+Syntax: install.py -v version -g gdir [gname] -b bdir -l ldir
+  specify one or more options, order does not matter
+  gdir,bdir,ldir can be paths relative to lib/latte, full paths, or contain ~
+  -v = version of Voro++ to download and build
+       default = voro++-0.4.6 (current as of Jan 2015)
+  -g = grab (download) from math.lbl.gov/voro++ website
+       unpack tarfile in gdir to produce version dir (e.g. voro++-0.4.6)
+       if optional gname specified, rename version dir to gname within gdir
+  -b = build Voro++, bdir = Voro++ home directory
+       note that bdir must include the version suffix unless renamed
+  -l = create 2 softlinks (includelink,liblink)
+         in lib/voronoi to src dir of ldir = Voro++ home directory
+       note that ldir must include the version suffix unless renamed
+"""
+
+# settings
+
+version = "voro++-0.4.6"
+url = "http://math.lbl.gov/voro++/download/dir/%s.tar.gz" % version
+
+# print error message or help
+
+def error(str=None):
+  if not str: print help
+  else: print "ERROR",str
+  sys.exit()
+
+# expand to full path name
+# process leading '~' or relative path
+  
+def fullpath(path):
+  return os.path.abspath(os.path.expanduser(path))
+  
+# parse args
+
+args = sys.argv[1:]
+nargs = len(args)
+if nargs == 0: error()
+
+grabflag = 0
+buildflag = 0
+linkflag = 0
+
+iarg = 0
+while iarg < nargs:
+  if args[iarg] == "-v":
+    if iarg+2 > nargs: error()
+    version = args[iarg+1]
+    iarg += 2  
+  elif args[iarg] == "-g":
+    if iarg+2 > nargs: error()
+    grabflag = 1
+    grabdir = args[iarg+1]
+    grabname = None
+    if iarg+2 < nargs and args[iarg+2][0] != '-':
+      grabname = args[iarg+2]
+      iarg += 1
+    iarg += 2
+  elif args[iarg] == "-b":
+    if iarg+2 > nargs: error()
+    buildflag = 1
+    builddir = args[iarg+1]
+    iarg += 2
+  elif args[iarg] == "-l":
+    if iarg+2 > nargs: error()
+    linkflag = 1
+    linkdir = args[iarg+1]
+    iarg += 2
+  else: error()
+
+# download and unpack Voro++ tarball
+
+if grabflag:
+  print "Downloading Voro++ ..."
+  grabdir = fullpath(grabdir)
+  if not os.path.isdir(grabdir): error("Grab directory does not exist")
+  urllib.urlretrieve(url,"%s/%s.tar.gz" % (grabdir,version))
+  
+  print "Unpacking Voro++ tarball ..."
+  tardir = "%s/%s" % (grabdir,version)
+  if os.path.exists(tardir): commands.getoutput("rm -rf %s" % tardir)
+  cmd = "cd %s; tar zxvf %s.tar.gz" % (grabdir,version)
+  txt = commands.getoutput(cmd)
+  print tardir,grabdir,grabname
+  if grabname: os.rename(tardir,"%s/%s" % (grabdir,grabname))
+
+# build Voro++
+
+if buildflag:
+  print "Building Voro++ ..."
+  cmd = "cd %s; make" % builddir
+  txt = commands.getoutput(cmd)
+  print txt
+
+# create 2 links in lib/voronoi to Voro++ src dir
+
+if linkflag:
+  print "Creating links to Voro++ include and lib files"
+  if os.path.isfile("includelink") or os.path.islink("includelink"):
+    os.remove("includelink")
+  if os.path.isfile("liblink") or os.path.islink("liblink"):
+    os.remove("liblink")
+  cmd = "ln -s %s/src includelink" % linkdir
+  commands.getoutput(cmd)
+  cmd = "ln -s %s/src liblink" % linkdir
+  commands.getoutput(cmd)
diff -Naur lammps-31Mar17/lib/voronoi/README lammps-11Apr17/lib/voronoi/README
--- lammps-31Mar17/lib/voronoi/README	2017-01-09 12:56:54.000000000 -0700
+++ lammps-11Apr17/lib/voronoi/README	2017-04-11 08:22:33.185313000 -0600
@@ -9,8 +9,8 @@
 -----------------
 
 You must perform the following steps yourself, or you can use the
-install.py Python script to automate any or all steps of the process.
-Type "python install.py" for instructions.
+Install.py Python script to automate any or all steps of the process.
+Type "python Install.py" for instructions.
 
 1.  Download Voro++ at http://math.lbl.gov/voro++/download
     either as a tarball or via SVN, and unpack the
diff -Naur lammps-31Mar17/lib/voronoi/install.py lammps-11Apr17/lib/voronoi/install.py
--- lammps-31Mar17/lib/voronoi/install.py	2015-01-08 16:36:35.000000000 -0700
+++ lammps-11Apr17/lib/voronoi/install.py	1969-12-31 17:00:00.000000000 -0700
@@ -1,163 +0,0 @@
-#!usr/local/python
-
-# install.py tool to download, unpack, build, and link to the Voro++ library
-# used to automate the steps described in the README file in this dir
-
-import sys,os,re,urllib,commands
-
-help = """
-Syntax: install.py -d dir -v version -g -b -i installdir -l incdir libdir
-        specify one or more options, order does not matter
-        -d = dir to download tarball to, unpack tarball in, perform build in
-             dir will be created if it doesn't exist (only last level)
-             default = this dir
-        -v = version of Voro++ to download and work with
-             default = voro++-0.4.6 (current as of Jan 2015)
-        -g = download (grab) tarball from
-             http://math.lbl.gov/voro++/download/dir/version
-        -b = build Voro++ by invoking "make" in its home dir
-             no default
-        -i = install Voro++ by invoking "make install" in its home dir
-             installdir arg is optional:
-               if not specified, installs at PREFIX defined in config.mk file
-               if specified, will overwrite PREFIX and install there
-             if PREFIX starts with /usr, will invoke "sudo make install"
-        -l = create two links to incdir and libdir
-             incdir and libdir are optional (specify neither or both):
-               if specified, includelink and liblink are to those two dirs
-                 these are dirs where Voro++ include files and lib file are
-               if not specified and no install, links are to Voro++ src dir
-               if not specified and install performed,
-                 links are to include and lib dirs under PREFIX
-"""
-
-def error():
-  print help
-  sys.exit()
-  
-# parse args
-
-args = sys.argv
-
-if len(args) == 1: error()
-
-dir = "."
-version = "voro++-0.4.6"
-grabflag = 0
-buildflag = 0
-installflag = 0
-linkflag = 0
-
-iarg = 1
-while iarg < len(args):
-  if args[iarg] == "-d":
-    if iarg+2 > len(args): error()
-    dir = args[iarg+1]
-    iarg += 2  
-  elif args[iarg] == "-v":
-    if iarg+2 > len(args): error()
-    version = args[iarg+1]
-    iarg += 2  
-  elif args[iarg] == "-g":
-    grabflag = 1
-    iarg += 1
-  elif args[iarg] == "-b":
-    buildflag = 1
-    iarg += 1
-  elif args[iarg] == "-i":
-    installflag = 1
-    if iarg+1 == len(args) or args[iarg+1][0] == '-':
-      installdir = ""
-      iarg += 1
-    else:
-      if iarg+2 > len(args): error()
-      installdir = args[iarg+1]
-      iarg += 2  
-  elif args[iarg] == "-l":
-    linkflag = 1
-    if iarg+1 == len(args) or args[iarg+1][0] == '-' or \
-          iarg+2 == len(args) or args[iarg+2][0] == '-':
-      includedir = libdir = ""
-      iarg += 1
-    else:
-      if iarg+3 > len(args): error()
-      includedir = args[iarg+1]
-      libdir = args[iarg+2]
-      iarg += 3
-  else: error()
-
-dir = os.path.abspath(dir)
-url = "http://math.lbl.gov/voro++/download/dir/%s.tar.gz" % version
-
-# create dir if does not exist
-
-if not os.path.isdir(dir):
-  if os.path.isfile(dir):
-    print "ERROR: Dir already exists as file"
-    sys.exit()
-  os.mkdir(dir)
-  if not os.path.isdir(dir):
-    print "ERROR: Unable to create dir"
-    sys.exit()
-
-# download and unpack tarball
-
-if grabflag:
-  print "Downloading Voro++ tarball ..."
-  urllib.urlretrieve(url,"%s/%s.tar.gz" % (dir,version))
-  print "Unpacking Voro++ tarball ..."
-  cmd = "cd %s; tar zxvf %s.tar.gz" % (dir,version)
-  txt = commands.getoutput(cmd)
-
-# build Voro++ in its dir
-
-if buildflag:
-  print "Building Voro++ ..."
-  cmd = "cd %s/%s; make" % (dir,version)
-  txt = commands.getoutput(cmd)
-  print txt
-
-# install Voro++
-# if installdir set, overwrite PREFIX var in its config.mk file
-# if PREFIX var starts with /usr, invoke sudo make install, else make install
-  
-if installflag:
-  print "Installing Voro++ ..."
-  if installdir:
-    txt = open("%s/%s/config.mk" % (dir,version),'r').read()
-    txt = re.sub("PREFIX=.*?\n","PREFIX=%s\n" % installdir,txt)
-    open("%s/%s/config.mk" % (dir,version),'w').write(txt)
-    print "TXT:",txt
-  txt = open("%s/%s/config.mk" % (dir,version),'r').read()
-  var = re.findall("PREFIX=.*?\n",txt)
-  prefix = var[0].split('=')[1].strip()
-  if prefix.startswith("/usr"):
-    cmd = "cd %s/%s; sudo make install" % (dir,version)
-  else:
-    cmd = "cd %s/%s; make install" % (dir,version)
-  txt = commands.getoutput(cmd)
-  print txt
-  
-# create links in this dir to Voro++ include and lib files
-
-if linkflag:
-  print "Creating links to Voro++ include and lib files"
-  if os.path.isfile("includelink") or os.path.islink("includelink"):
-    os.remove("includelink")
-  if os.path.isfile("liblink") or os.path.islink("liblink"):
-    os.remove("liblink")
-  if includedir:
-    cmd = "ln -s %s includelink" % includedir
-    txt = commands.getoutput(cmd)
-    cmd = "ln -s %s liblink" % linkdir
-    txt = commands.getoutput(cmd)
-  elif not installflag:
-    cmd = "ln -s %s/%s/src includelink" % (dir,version)
-    txt = commands.getoutput(cmd)
-    cmd = "ln -s %s/%s/src liblink" % (dir,version)
-    txt = commands.getoutput(cmd)
-  else:
-    cmd = "ln -s %s/include includelink" % prefix
-    txt = commands.getoutput(cmd)
-    cmd = "ln -s %s/lib liblink" % prefix
-    txt = commands.getoutput(cmd)
diff -Naur lammps-31Mar17/src/ASPHERE/compute_temp_asphere.cpp lammps-11Apr17/src/ASPHERE/compute_temp_asphere.cpp
--- lammps-31Mar17/src/ASPHERE/compute_temp_asphere.cpp	2016-11-09 15:37:03.000000000 -0700
+++ lammps-11Apr17/src/ASPHERE/compute_temp_asphere.cpp	2017-04-11 08:33:23.205616000 -0600
@@ -73,6 +73,11 @@
     } else error->all(FLERR,"Illegal compute temp/asphere command");
   }
 
+  // when computing only the rotational temperature,
+  // do not remove DOFs for translation as set by default
+
+  if (mode == ROTATE) extra_dof = 0;
+
   vector = new double[6];
 
 }
diff -Naur lammps-31Mar17/src/COMPRESS/Install.sh lammps-11Apr17/src/COMPRESS/Install.sh
--- lammps-31Mar17/src/COMPRESS/Install.sh	2016-08-27 17:09:15.000000000 -0600
+++ lammps-11Apr17/src/COMPRESS/Install.sh	2017-04-11 08:33:23.205616000 -0600
@@ -29,7 +29,7 @@
 # all package files with no dependencies
 
 for file in *.cpp *.h; do
-  action $file
+  test -f ${file} && action $file
 done
 
 # edit 2 Makefile.package files to include/exclude package info
diff -Naur lammps-31Mar17/src/Install.sh lammps-11Apr17/src/Install.sh
--- lammps-31Mar17/src/Install.sh	2016-08-27 17:09:15.000000000 -0600
+++ lammps-11Apr17/src/Install.sh	2017-04-11 08:33:23.205616000 -0600
@@ -33,5 +33,5 @@
 # all package files with no dependencies
 
 for file in *.cpp *.h; do
-  action $file
+  test -f ${file} && action $file
 done
diff -Naur lammps-31Mar17/src/KIM/Install.sh lammps-11Apr17/src/KIM/Install.sh
--- lammps-31Mar17/src/KIM/Install.sh	2016-08-27 17:09:15.000000000 -0600
+++ lammps-11Apr17/src/KIM/Install.sh	2017-04-11 08:33:23.205616000 -0600
@@ -29,7 +29,7 @@
 # all package files with no dependencies
 
 for file in *.cpp *.h; do
-  action $file
+  test -f ${file} && action $file
 done
 
 # edit 2 Makefile.package files to include/exclude package info
diff -Naur lammps-31Mar17/src/MC/fix_gcmc.cpp lammps-11Apr17/src/MC/fix_gcmc.cpp
--- lammps-31Mar17/src/MC/fix_gcmc.cpp	2017-03-28 12:53:42.000000000 -0600
+++ lammps-11Apr17/src/MC/fix_gcmc.cpp	2017-04-09 17:56:41.443846000 -0600
@@ -60,7 +60,7 @@
 // this must be lower than MAXENERGYSIGNAL
 // by a large amount, so that it is still
 // less than total energy when negative
-// energy changes are added to MAXENERGYSIGNAL
+// energy contributions are added to MAXENERGYSIGNAL
 
 #define MAXENERGYTEST 1.0e50
 
@@ -701,6 +701,9 @@
 
   if (full_flag) {
     energy_stored = energy_full();
+    if (overlap_flag && energy_stored > MAXENERGYTEST)
+        error->warning(FLERR,"Energy of old configuration in "
+                       "fix gcmc is > MAXENERGYTEST.");
 
     if (mode == MOLECULE) {
       for (int i = 0; i < ncycles; i++) {
@@ -778,6 +781,9 @@
   if (i >= 0) {
     double **x = atom->x;
     double energy_before = energy(i,ngcmc_type,-1,x[i]);
+    if (overlap_flag && energy_before > MAXENERGYTEST)
+        error->warning(FLERR,"Energy of old configuration in "
+                       "fix gcmc is > MAXENERGYTEST.");
     double rsq = 1.1;
     double rx,ry,rz;
     rx = ry = rz = 0.0;
@@ -998,6 +1004,9 @@
   if (translation_molecule == -1) return;
 
   double energy_before_sum = molecule_energy(translation_molecule);
+  if (overlap_flag && energy_before_sum > MAXENERGYTEST)
+    error->warning(FLERR,"Energy of old configuration in "
+                   "fix gcmc is > MAXENERGYTEST.");
 
   double **x = atom->x;
   double rx,ry,rz;
@@ -1095,6 +1104,9 @@
   if (rotation_molecule == -1) return;
 
   double energy_before_sum = molecule_energy(rotation_molecule);
+  if (overlap_flag && energy_before_sum > MAXENERGYTEST)
+    error->warning(FLERR,"Energy of old configuration in "
+                   "fix gcmc is > MAXENERGYTEST.");
 
   int nlocal = atom->nlocal;
   int *mask = atom->mask;
@@ -2170,6 +2182,8 @@
 
 double FixGCMC::energy_full()
 {
+  int imolecule;
+  
   if (triclinic) domain->x2lamda(atom->nlocal);
   domain->pbc();
   comm->exchange();
@@ -2185,14 +2199,15 @@
   // return signal value for energy 
 
   if (overlap_flag) {
+    int overlaptestall;
+    int overlaptest = 0;
     double delx,dely,delz,rsq;
     double **x = atom->x;
     tagint *molecule = atom->molecule;
     int nall = atom->nlocal + atom->nghost;
     for (int i = 0; i < atom->nlocal; i++) {
-      int imolecule = molecule[i];
+      if (mode == MOLECULE) imolecule = molecule[i];
       for (int j = i+1; j < nall; j++) {
-
         if (mode == MOLECULE)
           if (imolecule == molecule[j]) continue;
       
@@ -2201,11 +2216,18 @@
         delz = x[i][2] - x[j][2];
         rsq = delx*delx + dely*dely + delz*delz;
       
-        if (rsq < overlap_cutoff) return MAXENERGYSIGNAL;
+        if (rsq < overlap_cutoff) {
+          overlaptest = 1;
+          break;
+        }
       }
+      if (overlaptest) break;
     }
+    MPI_Allreduce(&overlaptest, &overlaptestall, 1,
+                  MPI_INT, MPI_MAX, world);
+    if (overlaptestall) return MAXENERGYSIGNAL;
   }
-  
+
   // clear forces so they don't accumulate over multiple
   // calls within fix gcmc timestep, e.g. for fix shake
   
diff -Naur lammps-31Mar17/src/MC/fix_gcmc.h lammps-11Apr17/src/MC/fix_gcmc.h
--- lammps-31Mar17/src/MC/fix_gcmc.h	2017-03-21 18:21:03.000000000 -0600
+++ lammps-11Apr17/src/MC/fix_gcmc.h	2017-04-09 17:56:41.443846000 -0600
@@ -106,7 +106,7 @@
   double xlo,xhi,ylo,yhi,zlo,zhi;
   double region_xlo,region_xhi,region_ylo,region_yhi,region_zlo,region_zhi;
   double region_volume;
-  double energy_stored;
+  double energy_stored;  // full energy of old/current configuration
   double *sublo,*subhi;
   int *local_gas_list;
   double **cutsq;
@@ -214,9 +214,14 @@
 
 Fix gcmc has automatically turned on the full_energy option since it
 is required for systems like the one specified by the user. User input
-included one or more of the following: kspace, triclinic, a hybrid
-pair style, an eam pair style, or no "single" function for the pair
-style.
+included one or more of the following: kspace, a hybrid
+pair style, an eam pair style, tail correction, 
+or no "single" function for the pair style.
+
+W: Energy of old configuration in fix gcmc is > MAXENERGYTEST. 
+
+This probably means that a pair of atoms are closer than the 
+overlap cutoff distance for keyword overlap_cutoff.
 
 E: Invalid atom type in fix gcmc command
 
diff -Naur lammps-31Mar17/src/MEAM/Install.sh lammps-11Apr17/src/MEAM/Install.sh
--- lammps-31Mar17/src/MEAM/Install.sh	2016-08-27 17:09:15.000000000 -0600
+++ lammps-11Apr17/src/MEAM/Install.sh	2017-04-11 08:33:23.205616000 -0600
@@ -29,7 +29,7 @@
 # all package files with no dependencies
 
 for file in *.cpp *.h; do
-  action $file
+  test -f ${file} && action $file
 done
 
 # edit 2 Makefile.package files to include/exclude package info
diff -Naur lammps-31Mar17/src/MOLECULE/bond_harmonic.cpp lammps-11Apr17/src/MOLECULE/bond_harmonic.cpp
--- lammps-31Mar17/src/MOLECULE/bond_harmonic.cpp	2016-11-04 11:01:14.000000000 -0600
+++ lammps-11Apr17/src/MOLECULE/bond_harmonic.cpp	2017-04-11 08:33:23.205616000 -0600
@@ -13,6 +13,7 @@
 
 #include <math.h>
 #include <stdlib.h>
+#include <string.h>
 #include "bond_harmonic.h"
 #include "atom.h"
 #include "neighbor.h"
@@ -26,7 +27,10 @@
 
 /* ---------------------------------------------------------------------- */
 
-BondHarmonic::BondHarmonic(LAMMPS *lmp) : Bond(lmp) {}
+BondHarmonic::BondHarmonic(LAMMPS *lmp) : Bond(lmp)
+{
+  reinitflag = 1;
+}
 
 /* ---------------------------------------------------------------------- */
 
@@ -196,3 +200,16 @@
   if (r > 0.0) fforce = -2.0*rk/r;
   return rk*dr;
 }
+
+/* ----------------------------------------------------------------------
+    Return ptr to internal members upon request.
+------------------------------------------------------------------------ */
+void *BondHarmonic::extract( char *str, int &dim )
+{
+  dim = 1;
+  if( strcmp(str,"kappa")==0) return (void*) k;
+  if( strcmp(str,"r0")==0) return (void*) r0;
+  return NULL;
+}
+
+
diff -Naur lammps-31Mar17/src/MOLECULE/bond_harmonic.h lammps-11Apr17/src/MOLECULE/bond_harmonic.h
--- lammps-31Mar17/src/MOLECULE/bond_harmonic.h	2015-10-30 14:04:06.000000000 -0600
+++ lammps-11Apr17/src/MOLECULE/bond_harmonic.h	2017-04-11 08:33:23.205616000 -0600
@@ -36,6 +36,7 @@
   void read_restart(FILE *);
   void write_data(FILE *);
   double single(int, double, int, int, double &);
+  virtual void *extract(char *, int &);
 
  protected:
   double *k,*r0;
diff -Naur lammps-31Mar17/src/MOLECULE/dihedral_charmmfsh.cpp lammps-11Apr17/src/MOLECULE/dihedral_charmmfsh.cpp
--- lammps-31Mar17/src/MOLECULE/dihedral_charmmfsh.cpp	2017-03-24 11:09:48.000000000 -0600
+++ lammps-11Apr17/src/MOLECULE/dihedral_charmmfsh.cpp	1969-12-31 17:00:00.000000000 -0700
@@ -1,482 +0,0 @@
-/* ----------------------------------------------------------------------
-   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: Paul Crozier (SNL)
-     The force-shifted sections were provided by Robert Meissner 
-     and Lucio Colombi Ciacchi of Bremen University, Bremen, Germany,
-     with additional assistance from Robert A. Latour, Clemson University 
-------------------------------------------------------------------------- */
-
-#include <mpi.h>
-#include <math.h>
-#include <stdlib.h>
-#include "dihedral_charmmfsh.h"
-#include "atom.h"
-#include "comm.h"
-#include "neighbor.h"
-#include "domain.h"
-#include "force.h"
-#include "pair.h"
-#include "update.h"
-#include "math_const.h"
-#include "memory.h"
-#include "error.h"
-
-using namespace LAMMPS_NS;
-using namespace MathConst;
-
-#define TOLERANCE 0.05
-
-/* ---------------------------------------------------------------------- */
-
-DihedralCharmmfsh::DihedralCharmmfsh(LAMMPS *lmp) : Dihedral(lmp)
-{
-  weightflag = 0;
-  writedata = 1;
-}
-
-/* ---------------------------------------------------------------------- */
-
-DihedralCharmmfsh::~DihedralCharmmfsh()
-{
-  if (allocated && !copymode) {
-    memory->destroy(setflag);
-    memory->destroy(k);
-    memory->destroy(multiplicity);
-    memory->destroy(shift);
-    memory->destroy(cos_shift);
-    memory->destroy(sin_shift);
-    memory->destroy(weight);
-  }
-}
-
-/* ---------------------------------------------------------------------- */
-
-void DihedralCharmmfsh::compute(int eflag, int vflag)
-{
-  int i1,i2,i3,i4,i,m,n,type;
-  double vb1x,vb1y,vb1z,vb2x,vb2y,vb2z,vb3x,vb3y,vb3z,vb2xm,vb2ym,vb2zm;
-  double edihedral,f1[3],f2[3],f3[3],f4[3];
-  double ax,ay,az,bx,by,bz,rasq,rbsq,rgsq,rg,rginv,ra2inv,rb2inv,rabinv;
-  double df,df1,ddf1,fg,hg,fga,hgb,gaa,gbb;
-  double dtfx,dtfy,dtfz,dtgx,dtgy,dtgz,dthx,dthy,dthz;
-  double c,s,p,sx2,sy2,sz2;
-  int itype,jtype;
-  double delx,dely,delz,rsq,r2inv,r6inv,r;
-  double forcecoul,forcelj,fpair,ecoul,evdwl;
-
-  edihedral = evdwl = ecoul = 0.0;
-  if (eflag || vflag) ev_setup(eflag,vflag);
-  else evflag = 0;
-
-  // insure pair->ev_tally() will use 1-4 virial contribution
-
-  if (weightflag && vflag_global == 2)
-    force->pair->vflag_either = force->pair->vflag_global = 1;
-
-  double **x = atom->x;
-  double **f = atom->f;
-  double *q = atom->q;
-  int *atomtype = atom->type;
-  int **dihedrallist = neighbor->dihedrallist;
-  int ndihedrallist = neighbor->ndihedrallist;
-  int nlocal = atom->nlocal;
-  int newton_bond = force->newton_bond;
-  double qqrd2e = force->qqrd2e;
-
-  for (n = 0; n < ndihedrallist; n++) {
-    i1 = dihedrallist[n][0];
-    i2 = dihedrallist[n][1];
-    i3 = dihedrallist[n][2];
-    i4 = dihedrallist[n][3];
-    type = dihedrallist[n][4];
-
-    // 1st bond
-
-    vb1x = x[i1][0] - x[i2][0];
-    vb1y = x[i1][1] - x[i2][1];
-    vb1z = x[i1][2] - x[i2][2];
-
-    // 2nd bond
-
-    vb2x = x[i3][0] - x[i2][0];
-    vb2y = x[i3][1] - x[i2][1];
-    vb2z = x[i3][2] - x[i2][2];
-
-    vb2xm = -vb2x;
-    vb2ym = -vb2y;
-    vb2zm = -vb2z;
-
-    // 3rd bond
-
-    vb3x = x[i4][0] - x[i3][0];
-    vb3y = x[i4][1] - x[i3][1];
-    vb3z = x[i4][2] - x[i3][2];
-
-    ax = vb1y*vb2zm - vb1z*vb2ym;
-    ay = vb1z*vb2xm - vb1x*vb2zm;
-    az = vb1x*vb2ym - vb1y*vb2xm;
-    bx = vb3y*vb2zm - vb3z*vb2ym;
-    by = vb3z*vb2xm - vb3x*vb2zm;
-    bz = vb3x*vb2ym - vb3y*vb2xm;
-
-    rasq = ax*ax + ay*ay + az*az;
-    rbsq = bx*bx + by*by + bz*bz;
-    rgsq = vb2xm*vb2xm + vb2ym*vb2ym + vb2zm*vb2zm;
-    rg = sqrt(rgsq);
-
-    rginv = ra2inv = rb2inv = 0.0;
-    if (rg > 0) rginv = 1.0/rg;
-    if (rasq > 0) ra2inv = 1.0/rasq;
-    if (rbsq > 0) rb2inv = 1.0/rbsq;
-    rabinv = sqrt(ra2inv*rb2inv);
-
-    c = (ax*bx + ay*by + az*bz)*rabinv;
-    s = rg*rabinv*(ax*vb3x + ay*vb3y + az*vb3z);
-
-    // error check
-
-    if (c > 1.0 + TOLERANCE || c < (-1.0 - TOLERANCE)) {
-      int me;
-      MPI_Comm_rank(world,&me);
-      if (screen) {
-        char str[128];
-        sprintf(str,"Dihedral problem: %d " BIGINT_FORMAT " "
-                TAGINT_FORMAT " " TAGINT_FORMAT " "
-                TAGINT_FORMAT " " TAGINT_FORMAT,
-                me,update->ntimestep,
-                atom->tag[i1],atom->tag[i2],atom->tag[i3],atom->tag[i4]);
-        error->warning(FLERR,str,0);
-        fprintf(screen,"  1st atom: %d %g %g %g\n",
-                me,x[i1][0],x[i1][1],x[i1][2]);
-        fprintf(screen,"  2nd atom: %d %g %g %g\n",
-                me,x[i2][0],x[i2][1],x[i2][2]);
-        fprintf(screen,"  3rd atom: %d %g %g %g\n",
-                me,x[i3][0],x[i3][1],x[i3][2]);
-        fprintf(screen,"  4th atom: %d %g %g %g\n",
-                me,x[i4][0],x[i4][1],x[i4][2]);
-      }
-    }
-
-    if (c > 1.0) c = 1.0;
-    if (c < -1.0) c = -1.0;
-
-    m = multiplicity[type];
-    p = 1.0;
-    ddf1 = df1 = 0.0;
-
-    for (i = 0; i < m; i++) {
-      ddf1 = p*c - df1*s;
-      df1 = p*s + df1*c;
-      p = ddf1;
-    }
-
-    p = p*cos_shift[type] + df1*sin_shift[type];
-    df1 = df1*cos_shift[type] - ddf1*sin_shift[type];
-    df1 *= -m;
-    p += 1.0;
-
-    if (m == 0) {
-      p = 1.0 + cos_shift[type];
-      df1 = 0.0;
-    }
-
-    if (eflag) edihedral = k[type] * p;
-
-    fg = vb1x*vb2xm + vb1y*vb2ym + vb1z*vb2zm;
-    hg = vb3x*vb2xm + vb3y*vb2ym + vb3z*vb2zm;
-    fga = fg*ra2inv*rginv;
-    hgb = hg*rb2inv*rginv;
-    gaa = -ra2inv*rg;
-    gbb = rb2inv*rg;
-
-    dtfx = gaa*ax;
-    dtfy = gaa*ay;
-    dtfz = gaa*az;
-    dtgx = fga*ax - hgb*bx;
-    dtgy = fga*ay - hgb*by;
-    dtgz = fga*az - hgb*bz;
-    dthx = gbb*bx;
-    dthy = gbb*by;
-    dthz = gbb*bz;
-
-    df = -k[type] * df1;
-
-    sx2 = df*dtgx;
-    sy2 = df*dtgy;
-    sz2 = df*dtgz;
-
-    f1[0] = df*dtfx;
-    f1[1] = df*dtfy;
-    f1[2] = df*dtfz;
-
-    f2[0] = sx2 - f1[0];
-    f2[1] = sy2 - f1[1];
-    f2[2] = sz2 - f1[2];
-
-    f4[0] = df*dthx;
-    f4[1] = df*dthy;
-    f4[2] = df*dthz;
-
-    f3[0] = -sx2 - f4[0];
-    f3[1] = -sy2 - f4[1];
-    f3[2] = -sz2 - f4[2];
-
-    // apply force to each of 4 atoms
-
-    if (newton_bond || i1 < nlocal) {
-      f[i1][0] += f1[0];
-      f[i1][1] += f1[1];
-      f[i1][2] += f1[2];
-    }
-
-    if (newton_bond || i2 < nlocal) {
-      f[i2][0] += f2[0];
-      f[i2][1] += f2[1];
-      f[i2][2] += f2[2];
-    }
-
-    if (newton_bond || i3 < nlocal) {
-      f[i3][0] += f3[0];
-      f[i3][1] += f3[1];
-      f[i3][2] += f3[2];
-    }
-
-    if (newton_bond || i4 < nlocal) {
-      f[i4][0] += f4[0];
-      f[i4][1] += f4[1];
-      f[i4][2] += f4[2];
-    }
-
-    if (evflag)
-      ev_tally(i1,i2,i3,i4,nlocal,newton_bond,edihedral,f1,f3,f4,
-               vb1x,vb1y,vb1z,vb2x,vb2y,vb2z,vb3x,vb3y,vb3z);
-
-    // 1-4 LJ and Coulomb interactions
-    // tally energy/virial in pair, using newton_bond as newton flag
-
-    if (weight[type] > 0.0) {
-      itype = atomtype[i1];
-      jtype = atomtype[i4];
-
-      delx = x[i1][0] - x[i4][0];
-      dely = x[i1][1] - x[i4][1];
-      delz = x[i1][2] - x[i4][2];
-      rsq = delx*delx + dely*dely + delz*delz;
-      r2inv = 1.0/rsq;
-      r6inv = r2inv*r2inv*r2inv;
-
-      // modifying coul and LJ force and energies to apply 
-      //   force_shift and force_switch as in CHARMM pairwise
-      // LJ interactions between 1-4 atoms should usually be
-      //   for r < cut_inner, so switching not applied
-
-      r = sqrt(rsq);
-      if (implicit) forcecoul = qqrd2e * q[i1]*q[i4]*r2inv;
-      else if (dihedflag) forcecoul = qqrd2e * q[i1]*q[i4]*sqrt(r2inv);
-      else forcecoul = qqrd2e * q[i1]*q[i4]*(sqrt(r2inv) - 
-                                             r*cut_coulinv14*cut_coulinv14);
-      forcelj = r6inv * (lj14_1[itype][jtype]*r6inv - lj14_2[itype][jtype]);
-      fpair = weight[type] * (forcelj+forcecoul)*r2inv;
-
-      if (eflag) {
-        if (dihedflag) ecoul = weight[type] * forcecoul;
-        else ecoul = weight[type] * qqrd2e * q[i1]*q[i4] *
-               (sqrt(r2inv) + r*cut_coulinv14*cut_coulinv14 - 
-                2.0*cut_coulinv14);
-        evdwl14_12 = r6inv*lj14_3[itype][jtype]*r6inv - 
-          lj14_3[itype][jtype]*cut_lj_inner6inv*cut_lj6inv;
-        evdwl14_6 = -lj14_4[itype][jtype]*r6inv + 
-          lj14_4[itype][jtype]*cut_lj_inner3inv*cut_lj3inv;
-        evdwl = evdwl14_12 + evdwl14_6;
-        evdwl *= weight[type];
-      }
-
-      if (newton_bond || i1 < nlocal) {
-        f[i1][0] += delx*fpair;
-        f[i1][1] += dely*fpair;
-        f[i1][2] += delz*fpair;
-      }
-      if (newton_bond || i4 < nlocal) {
-        f[i4][0] -= delx*fpair;
-        f[i4][1] -= dely*fpair;
-        f[i4][2] -= delz*fpair;
-      }
-
-      if (evflag) force->pair->ev_tally(i1,i4,nlocal,newton_bond,
-                                        evdwl,ecoul,fpair,delx,dely,delz);
-    }
-  }
-}
-
-/* ---------------------------------------------------------------------- */
-
-void DihedralCharmmfsh::allocate()
-{
-  allocated = 1;
-  int n = atom->ndihedraltypes;
-
-  memory->create(k,n+1,"dihedral:k");
-  memory->create(multiplicity,n+1,"dihedral:k");
-  memory->create(shift,n+1,"dihedral:shift");
-  memory->create(cos_shift,n+1,"dihedral:cos_shift");
-  memory->create(sin_shift,n+1,"dihedral:sin_shift");
-  memory->create(weight,n+1,"dihedral:weight");
-
-  memory->create(setflag,n+1,"dihedral:setflag");
-  for (int i = 1; i <= n; i++) setflag[i] = 0;
-}
-
-/* ----------------------------------------------------------------------
-   set coeffs for one type
-------------------------------------------------------------------------- */
-
-void DihedralCharmmfsh::coeff(int narg, char **arg)
-{
-  if (narg != 5) error->all(FLERR,"Incorrect args for dihedral coefficients");
-  if (!allocated) allocate();
-
-  int ilo,ihi;
-  force->bounds(FLERR,arg[0],atom->ndihedraltypes,ilo,ihi);
-
-  // require integer values of shift for backwards compatibility
-  // arbitrary phase angle shift could be allowed, but would break
-  //   backwards compatibility and is probably not needed
-
-  double k_one = force->numeric(FLERR,arg[1]);
-  int multiplicity_one = force->inumeric(FLERR,arg[2]);
-  int shift_one = force->inumeric(FLERR,arg[3]);
-  double weight_one = force->numeric(FLERR,arg[4]);
-
-  if (multiplicity_one < 0)
-    error->all(FLERR,"Incorrect multiplicity arg for dihedral coefficients");
-  if (weight_one < 0.0 || weight_one > 1.0)
-    error->all(FLERR,"Incorrect weight arg for dihedral coefficients");
-  if (weight_one > 0.0) weightflag=1;
-
-  int count = 0;
-  for (int i = ilo; i <= ihi; i++) {
-    k[i] = k_one;
-    shift[i] = shift_one;
-    cos_shift[i] = cos(MY_PI*shift_one/180.0);
-    sin_shift[i] = sin(MY_PI*shift_one/180.0);
-    multiplicity[i] = multiplicity_one;
-    weight[i] = weight_one;
-    setflag[i] = 1;
-    count++;
-  }
-
-  if (count == 0) error->all(FLERR,"Incorrect args for dihedral coefficients");
-}
-
-/* ----------------------------------------------------------------------
-   error check and initialize all values needed for force computation
-------------------------------------------------------------------------- */
-
-void DihedralCharmmfsh::init_style()
-{
-  // insure use of CHARMM pair_style if any weight factors are non-zero
-  // set local ptrs to LJ 14 arrays setup by Pair
-
-  if (weightflag) {
-    int itmp;
-    if (force->pair == NULL)
-      error->all(FLERR,"Dihedral charmmfsh is incompatible with Pair style");
-    lj14_1 = (double **) force->pair->extract("lj14_1",itmp);
-    lj14_2 = (double **) force->pair->extract("lj14_2",itmp);
-    lj14_3 = (double **) force->pair->extract("lj14_3",itmp);
-    lj14_4 = (double **) force->pair->extract("lj14_4",itmp);
-    int *ptr = (int *) force->pair->extract("implicit",itmp);
-    if (!lj14_1 || !lj14_2 || !lj14_3 || !lj14_4 || !ptr)
-      error->all(FLERR,"Dihedral charmmfsh is incompatible with Pair style");
-    implicit = *ptr;
-  }
-
-  // constants for applying force switch (LJ) and force_shift (coul)
-  // to 1/4 dihedral atoms to match CHARMM pairwise interactions
-
-  int itmp;
-  int *p_dihedflag = (int *) force->pair->extract("dihedflag",itmp);
-  double *p_cutljinner = (double *) force->pair->extract("cut_lj_inner",itmp);
-  double *p_cutlj = (double *) force->pair->extract("cut_lj",itmp);
-  double *p_cutcoul = (double *) force->pair->extract("cut_coul",itmp);
-  
-  if (p_cutcoul == NULL || p_cutljinner == NULL || 
-      p_cutlj == NULL || p_dihedflag == NULL)
-    error->all(FLERR,"Dihedral charmmfsh is incompatible with Pair style");
-  
-  dihedflag = *p_dihedflag;
-  cut_coul14 = *p_cutcoul;
-  cut_lj_inner14 = *p_cutljinner;
-  cut_lj14 = *p_cutlj;
-
-  cut_coulinv14 = 1/cut_coul14;
-  cut_lj_inner3inv = (1/cut_lj_inner14) * (1/cut_lj_inner14) * 
-    (1/cut_lj_inner14);
-  cut_lj_inner6inv = cut_lj_inner3inv * cut_lj_inner3inv;
-  cut_lj3inv = (1/cut_lj14) * (1/cut_lj14) * (1/cut_lj14);
-  cut_lj6inv = cut_lj3inv * cut_lj3inv;
-}
-
-/* ----------------------------------------------------------------------
-   proc 0 writes out coeffs to restart file
-------------------------------------------------------------------------- */
-
-void DihedralCharmmfsh::write_restart(FILE *fp)
-{
-  fwrite(&k[1],sizeof(double),atom->ndihedraltypes,fp);
-  fwrite(&multiplicity[1],sizeof(int),atom->ndihedraltypes,fp);
-  fwrite(&shift[1],sizeof(int),atom->ndihedraltypes,fp);
-  fwrite(&weight[1],sizeof(double),atom->ndihedraltypes,fp);
-  fwrite(&weightflag,sizeof(int),1,fp);
-}
-
-/* ----------------------------------------------------------------------
-   proc 0 reads coeffs from restart file, bcasts them
-------------------------------------------------------------------------- */
-
-void DihedralCharmmfsh::read_restart(FILE *fp)
-{
-  allocate();
-
-  if (comm->me == 0) {
-    fread(&k[1],sizeof(double),atom->ndihedraltypes,fp);
-    fread(&multiplicity[1],sizeof(int),atom->ndihedraltypes,fp);
-    fread(&shift[1],sizeof(int),atom->ndihedraltypes,fp);
-    fread(&weight[1],sizeof(double),atom->ndihedraltypes,fp);
-    fread(&weightflag,sizeof(int),1,fp);
-  }
-  MPI_Bcast(&k[1],atom->ndihedraltypes,MPI_DOUBLE,0,world);
-  MPI_Bcast(&multiplicity[1],atom->ndihedraltypes,MPI_INT,0,world);
-  MPI_Bcast(&shift[1],atom->ndihedraltypes,MPI_INT,0,world);
-  MPI_Bcast(&weight[1],atom->ndihedraltypes,MPI_DOUBLE,0,world);
-  MPI_Bcast(&weightflag,1,MPI_INT,0,world);
-
-  for (int i = 1; i <= atom->ndihedraltypes; i++) {
-    setflag[i] = 1;
-    cos_shift[i] = cos(MY_PI*shift[i]/180.0);
-    sin_shift[i] = sin(MY_PI*shift[i]/180.0);
-  }
-}
-
-/* ----------------------------------------------------------------------
-   proc 0 writes to data file
-------------------------------------------------------------------------- */
-
-void DihedralCharmmfsh::write_data(FILE *fp)
-{
-  for (int i = 1; i <= atom->ndihedraltypes; i++)
-    fprintf(fp,"%d %g %d %d %g\n",i,k[i],multiplicity[i],shift[i],weight[i]);
-}
-
diff -Naur lammps-31Mar17/src/MOLECULE/dihedral_charmmfsh.h lammps-11Apr17/src/MOLECULE/dihedral_charmmfsh.h
--- lammps-31Mar17/src/MOLECULE/dihedral_charmmfsh.h	2017-03-24 11:09:48.000000000 -0600
+++ lammps-11Apr17/src/MOLECULE/dihedral_charmmfsh.h	1969-12-31 17:00:00.000000000 -0700
@@ -1,81 +0,0 @@
-/* -*- 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 DIHEDRAL_CLASS
-
-DihedralStyle(charmmfsh,DihedralCharmmfsh)
-
-#else
-
-#ifndef LMP_DIHEDRAL_CHARMMFSH_H
-#define LMP_DIHEDRAL_CHARMMFSH_H
-
-#include <stdio.h>
-#include "dihedral.h"
-
-namespace LAMMPS_NS {
-
-class DihedralCharmmfsh : public Dihedral {
- public:
-  DihedralCharmmfsh(class LAMMPS *);
-  virtual ~DihedralCharmmfsh();
-  virtual void compute(int, int);
-  virtual void coeff(int, char **);
-  virtual void init_style();
-  void write_restart(FILE *);
-  void read_restart(FILE *);
-  void write_data(FILE *);
-
- protected:
-  int implicit,weightflag,dihedflag;
-  double cut_lj_inner14,cut_lj14,cut_coul14;
-  double evdwl14_12,evdwl14_6,cut_coulinv14;
-  double cut_lj_inner3inv,cut_lj_inner6inv,cut_lj3inv,cut_lj6inv;
-
-  double *k,*weight,*cos_shift,*sin_shift;
-  int *multiplicity,*shift;
-  double **lj14_1,**lj14_2,**lj14_3,**lj14_4;
-
-  virtual void allocate();
-};
-
-}
-
-#endif
-#endif
-
-/* ERROR/WARNING messages:
-
-W: Dihedral problem: %d %ld %d %d %d %d
-
-Conformation of the 4 listed dihedral atoms is extreme; you may want
-to check your simulation geometry.
-
-E: Incorrect args for dihedral coefficients
-
-Self-explanatory.  Check the input script or data file.
-
-E: Incorrect multiplicity arg for dihedral coefficients
-
-Self-explanatory.  Check the input script or data file.
-
-E: Incorrect weight arg for dihedral coefficients
-
-Self-explanatory.  Check the input script or data file.
-
-E: Dihedral charmmfsh is incompatible with Pair style
-
-Dihedral style charmmfsh must be used with a pair style charmm
-in order for the 1-4 epsilon/sigma parameters to be defined.
-
-*/
diff -Naur lammps-31Mar17/src/MOLECULE/dihedral_charmmfsw.cpp lammps-11Apr17/src/MOLECULE/dihedral_charmmfsw.cpp
--- lammps-31Mar17/src/MOLECULE/dihedral_charmmfsw.cpp	1969-12-31 17:00:00.000000000 -0700
+++ lammps-11Apr17/src/MOLECULE/dihedral_charmmfsw.cpp	2017-04-11 08:38:27.854399000 -0600
@@ -0,0 +1,482 @@
+/* ----------------------------------------------------------------------
+   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: Paul Crozier (SNL)
+     The force-shifted sections were provided by Robert Meissner 
+     and Lucio Colombi Ciacchi of Bremen University, Bremen, Germany,
+     with additional assistance from Robert A. Latour, Clemson University 
+------------------------------------------------------------------------- */
+
+#include <mpi.h>
+#include <math.h>
+#include <stdlib.h>
+#include "dihedral_charmmfsw.h"
+#include "atom.h"
+#include "comm.h"
+#include "neighbor.h"
+#include "domain.h"
+#include "force.h"
+#include "pair.h"
+#include "update.h"
+#include "math_const.h"
+#include "memory.h"
+#include "error.h"
+
+using namespace LAMMPS_NS;
+using namespace MathConst;
+
+#define TOLERANCE 0.05
+
+/* ---------------------------------------------------------------------- */
+
+DihedralCharmmfsw::DihedralCharmmfsw(LAMMPS *lmp) : Dihedral(lmp)
+{
+  weightflag = 0;
+  writedata = 1;
+}
+
+/* ---------------------------------------------------------------------- */
+
+DihedralCharmmfsw::~DihedralCharmmfsw()
+{
+  if (allocated && !copymode) {
+    memory->destroy(setflag);
+    memory->destroy(k);
+    memory->destroy(multiplicity);
+    memory->destroy(shift);
+    memory->destroy(cos_shift);
+    memory->destroy(sin_shift);
+    memory->destroy(weight);
+  }
+}
+
+/* ---------------------------------------------------------------------- */
+
+void DihedralCharmmfsw::compute(int eflag, int vflag)
+{
+  int i1,i2,i3,i4,i,m,n,type;
+  double vb1x,vb1y,vb1z,vb2x,vb2y,vb2z,vb3x,vb3y,vb3z,vb2xm,vb2ym,vb2zm;
+  double edihedral,f1[3],f2[3],f3[3],f4[3];
+  double ax,ay,az,bx,by,bz,rasq,rbsq,rgsq,rg,rginv,ra2inv,rb2inv,rabinv;
+  double df,df1,ddf1,fg,hg,fga,hgb,gaa,gbb;
+  double dtfx,dtfy,dtfz,dtgx,dtgy,dtgz,dthx,dthy,dthz;
+  double c,s,p,sx2,sy2,sz2;
+  int itype,jtype;
+  double delx,dely,delz,rsq,r2inv,r6inv,r;
+  double forcecoul,forcelj,fpair,ecoul,evdwl;
+
+  edihedral = evdwl = ecoul = 0.0;
+  if (eflag || vflag) ev_setup(eflag,vflag);
+  else evflag = 0;
+
+  // insure pair->ev_tally() will use 1-4 virial contribution
+
+  if (weightflag && vflag_global == 2)
+    force->pair->vflag_either = force->pair->vflag_global = 1;
+
+  double **x = atom->x;
+  double **f = atom->f;
+  double *q = atom->q;
+  int *atomtype = atom->type;
+  int **dihedrallist = neighbor->dihedrallist;
+  int ndihedrallist = neighbor->ndihedrallist;
+  int nlocal = atom->nlocal;
+  int newton_bond = force->newton_bond;
+  double qqrd2e = force->qqrd2e;
+
+  for (n = 0; n < ndihedrallist; n++) {
+    i1 = dihedrallist[n][0];
+    i2 = dihedrallist[n][1];
+    i3 = dihedrallist[n][2];
+    i4 = dihedrallist[n][3];
+    type = dihedrallist[n][4];
+
+    // 1st bond
+
+    vb1x = x[i1][0] - x[i2][0];
+    vb1y = x[i1][1] - x[i2][1];
+    vb1z = x[i1][2] - x[i2][2];
+
+    // 2nd bond
+
+    vb2x = x[i3][0] - x[i2][0];
+    vb2y = x[i3][1] - x[i2][1];
+    vb2z = x[i3][2] - x[i2][2];
+
+    vb2xm = -vb2x;
+    vb2ym = -vb2y;
+    vb2zm = -vb2z;
+
+    // 3rd bond
+
+    vb3x = x[i4][0] - x[i3][0];
+    vb3y = x[i4][1] - x[i3][1];
+    vb3z = x[i4][2] - x[i3][2];
+
+    ax = vb1y*vb2zm - vb1z*vb2ym;
+    ay = vb1z*vb2xm - vb1x*vb2zm;
+    az = vb1x*vb2ym - vb1y*vb2xm;
+    bx = vb3y*vb2zm - vb3z*vb2ym;
+    by = vb3z*vb2xm - vb3x*vb2zm;
+    bz = vb3x*vb2ym - vb3y*vb2xm;
+
+    rasq = ax*ax + ay*ay + az*az;
+    rbsq = bx*bx + by*by + bz*bz;
+    rgsq = vb2xm*vb2xm + vb2ym*vb2ym + vb2zm*vb2zm;
+    rg = sqrt(rgsq);
+
+    rginv = ra2inv = rb2inv = 0.0;
+    if (rg > 0) rginv = 1.0/rg;
+    if (rasq > 0) ra2inv = 1.0/rasq;
+    if (rbsq > 0) rb2inv = 1.0/rbsq;
+    rabinv = sqrt(ra2inv*rb2inv);
+
+    c = (ax*bx + ay*by + az*bz)*rabinv;
+    s = rg*rabinv*(ax*vb3x + ay*vb3y + az*vb3z);
+
+    // error check
+
+    if (c > 1.0 + TOLERANCE || c < (-1.0 - TOLERANCE)) {
+      int me;
+      MPI_Comm_rank(world,&me);
+      if (screen) {
+        char str[128];
+        sprintf(str,"Dihedral problem: %d " BIGINT_FORMAT " "
+                TAGINT_FORMAT " " TAGINT_FORMAT " "
+                TAGINT_FORMAT " " TAGINT_FORMAT,
+                me,update->ntimestep,
+                atom->tag[i1],atom->tag[i2],atom->tag[i3],atom->tag[i4]);
+        error->warning(FLERR,str,0);
+        fprintf(screen,"  1st atom: %d %g %g %g\n",
+                me,x[i1][0],x[i1][1],x[i1][2]);
+        fprintf(screen,"  2nd atom: %d %g %g %g\n",
+                me,x[i2][0],x[i2][1],x[i2][2]);
+        fprintf(screen,"  3rd atom: %d %g %g %g\n",
+                me,x[i3][0],x[i3][1],x[i3][2]);
+        fprintf(screen,"  4th atom: %d %g %g %g\n",
+                me,x[i4][0],x[i4][1],x[i4][2]);
+      }
+    }
+
+    if (c > 1.0) c = 1.0;
+    if (c < -1.0) c = -1.0;
+
+    m = multiplicity[type];
+    p = 1.0;
+    ddf1 = df1 = 0.0;
+
+    for (i = 0; i < m; i++) {
+      ddf1 = p*c - df1*s;
+      df1 = p*s + df1*c;
+      p = ddf1;
+    }
+
+    p = p*cos_shift[type] + df1*sin_shift[type];
+    df1 = df1*cos_shift[type] - ddf1*sin_shift[type];
+    df1 *= -m;
+    p += 1.0;
+
+    if (m == 0) {
+      p = 1.0 + cos_shift[type];
+      df1 = 0.0;
+    }
+
+    if (eflag) edihedral = k[type] * p;
+
+    fg = vb1x*vb2xm + vb1y*vb2ym + vb1z*vb2zm;
+    hg = vb3x*vb2xm + vb3y*vb2ym + vb3z*vb2zm;
+    fga = fg*ra2inv*rginv;
+    hgb = hg*rb2inv*rginv;
+    gaa = -ra2inv*rg;
+    gbb = rb2inv*rg;
+
+    dtfx = gaa*ax;
+    dtfy = gaa*ay;
+    dtfz = gaa*az;
+    dtgx = fga*ax - hgb*bx;
+    dtgy = fga*ay - hgb*by;
+    dtgz = fga*az - hgb*bz;
+    dthx = gbb*bx;
+    dthy = gbb*by;
+    dthz = gbb*bz;
+
+    df = -k[type] * df1;
+
+    sx2 = df*dtgx;
+    sy2 = df*dtgy;
+    sz2 = df*dtgz;
+
+    f1[0] = df*dtfx;
+    f1[1] = df*dtfy;
+    f1[2] = df*dtfz;
+
+    f2[0] = sx2 - f1[0];
+    f2[1] = sy2 - f1[1];
+    f2[2] = sz2 - f1[2];
+
+    f4[0] = df*dthx;
+    f4[1] = df*dthy;
+    f4[2] = df*dthz;
+
+    f3[0] = -sx2 - f4[0];
+    f3[1] = -sy2 - f4[1];
+    f3[2] = -sz2 - f4[2];
+
+    // apply force to each of 4 atoms
+
+    if (newton_bond || i1 < nlocal) {
+      f[i1][0] += f1[0];
+      f[i1][1] += f1[1];
+      f[i1][2] += f1[2];
+    }
+
+    if (newton_bond || i2 < nlocal) {
+      f[i2][0] += f2[0];
+      f[i2][1] += f2[1];
+      f[i2][2] += f2[2];
+    }
+
+    if (newton_bond || i3 < nlocal) {
+      f[i3][0] += f3[0];
+      f[i3][1] += f3[1];
+      f[i3][2] += f3[2];
+    }
+
+    if (newton_bond || i4 < nlocal) {
+      f[i4][0] += f4[0];
+      f[i4][1] += f4[1];
+      f[i4][2] += f4[2];
+    }
+
+    if (evflag)
+      ev_tally(i1,i2,i3,i4,nlocal,newton_bond,edihedral,f1,f3,f4,
+               vb1x,vb1y,vb1z,vb2x,vb2y,vb2z,vb3x,vb3y,vb3z);
+
+    // 1-4 LJ and Coulomb interactions
+    // tally energy/virial in pair, using newton_bond as newton flag
+
+    if (weight[type] > 0.0) {
+      itype = atomtype[i1];
+      jtype = atomtype[i4];
+
+      delx = x[i1][0] - x[i4][0];
+      dely = x[i1][1] - x[i4][1];
+      delz = x[i1][2] - x[i4][2];
+      rsq = delx*delx + dely*dely + delz*delz;
+      r2inv = 1.0/rsq;
+      r6inv = r2inv*r2inv*r2inv;
+
+      // modifying coul and LJ force and energies to apply 
+      //   force_shift and force_switch as in CHARMM pairwise
+      // LJ interactions between 1-4 atoms should usually be
+      //   for r < cut_inner, so switching not applied
+
+      r = sqrt(rsq);
+      if (implicit) forcecoul = qqrd2e * q[i1]*q[i4]*r2inv;
+      else if (dihedflag) forcecoul = qqrd2e * q[i1]*q[i4]*sqrt(r2inv);
+      else forcecoul = qqrd2e * q[i1]*q[i4]*(sqrt(r2inv) - 
+                                             r*cut_coulinv14*cut_coulinv14);
+      forcelj = r6inv * (lj14_1[itype][jtype]*r6inv - lj14_2[itype][jtype]);
+      fpair = weight[type] * (forcelj+forcecoul)*r2inv;
+
+      if (eflag) {
+        if (dihedflag) ecoul = weight[type] * forcecoul;
+        else ecoul = weight[type] * qqrd2e * q[i1]*q[i4] *
+               (sqrt(r2inv) + r*cut_coulinv14*cut_coulinv14 - 
+                2.0*cut_coulinv14);
+        evdwl14_12 = r6inv*lj14_3[itype][jtype]*r6inv - 
+          lj14_3[itype][jtype]*cut_lj_inner6inv*cut_lj6inv;
+        evdwl14_6 = -lj14_4[itype][jtype]*r6inv + 
+          lj14_4[itype][jtype]*cut_lj_inner3inv*cut_lj3inv;
+        evdwl = evdwl14_12 + evdwl14_6;
+        evdwl *= weight[type];
+      }
+
+      if (newton_bond || i1 < nlocal) {
+        f[i1][0] += delx*fpair;
+        f[i1][1] += dely*fpair;
+        f[i1][2] += delz*fpair;
+      }
+      if (newton_bond || i4 < nlocal) {
+        f[i4][0] -= delx*fpair;
+        f[i4][1] -= dely*fpair;
+        f[i4][2] -= delz*fpair;
+      }
+
+      if (evflag) force->pair->ev_tally(i1,i4,nlocal,newton_bond,
+                                        evdwl,ecoul,fpair,delx,dely,delz);
+    }
+  }
+}
+
+/* ---------------------------------------------------------------------- */
+
+void DihedralCharmmfsw::allocate()
+{
+  allocated = 1;
+  int n = atom->ndihedraltypes;
+
+  memory->create(k,n+1,"dihedral:k");
+  memory->create(multiplicity,n+1,"dihedral:k");
+  memory->create(shift,n+1,"dihedral:shift");
+  memory->create(cos_shift,n+1,"dihedral:cos_shift");
+  memory->create(sin_shift,n+1,"dihedral:sin_shift");
+  memory->create(weight,n+1,"dihedral:weight");
+
+  memory->create(setflag,n+1,"dihedral:setflag");
+  for (int i = 1; i <= n; i++) setflag[i] = 0;
+}
+
+/* ----------------------------------------------------------------------
+   set coeffs for one type
+------------------------------------------------------------------------- */
+
+void DihedralCharmmfsw::coeff(int narg, char **arg)
+{
+  if (narg != 5) error->all(FLERR,"Incorrect args for dihedral coefficients");
+  if (!allocated) allocate();
+
+  int ilo,ihi;
+  force->bounds(FLERR,arg[0],atom->ndihedraltypes,ilo,ihi);
+
+  // require integer values of shift for backwards compatibility
+  // arbitrary phase angle shift could be allowed, but would break
+  //   backwards compatibility and is probably not needed
+
+  double k_one = force->numeric(FLERR,arg[1]);
+  int multiplicity_one = force->inumeric(FLERR,arg[2]);
+  int shift_one = force->inumeric(FLERR,arg[3]);
+  double weight_one = force->numeric(FLERR,arg[4]);
+
+  if (multiplicity_one < 0)
+    error->all(FLERR,"Incorrect multiplicity arg for dihedral coefficients");
+  if (weight_one < 0.0 || weight_one > 1.0)
+    error->all(FLERR,"Incorrect weight arg for dihedral coefficients");
+  if (weight_one > 0.0) weightflag=1;
+
+  int count = 0;
+  for (int i = ilo; i <= ihi; i++) {
+    k[i] = k_one;
+    shift[i] = shift_one;
+    cos_shift[i] = cos(MY_PI*shift_one/180.0);
+    sin_shift[i] = sin(MY_PI*shift_one/180.0);
+    multiplicity[i] = multiplicity_one;
+    weight[i] = weight_one;
+    setflag[i] = 1;
+    count++;
+  }
+
+  if (count == 0) error->all(FLERR,"Incorrect args for dihedral coefficients");
+}
+
+/* ----------------------------------------------------------------------
+   error check and initialize all values needed for force computation
+------------------------------------------------------------------------- */
+
+void DihedralCharmmfsw::init_style()
+{
+  // insure use of CHARMM pair_style if any weight factors are non-zero
+  // set local ptrs to LJ 14 arrays setup by Pair
+
+  if (weightflag) {
+    int itmp;
+    if (force->pair == NULL)
+      error->all(FLERR,"Dihedral charmmfsw is incompatible with Pair style");
+    lj14_1 = (double **) force->pair->extract("lj14_1",itmp);
+    lj14_2 = (double **) force->pair->extract("lj14_2",itmp);
+    lj14_3 = (double **) force->pair->extract("lj14_3",itmp);
+    lj14_4 = (double **) force->pair->extract("lj14_4",itmp);
+    int *ptr = (int *) force->pair->extract("implicit",itmp);
+    if (!lj14_1 || !lj14_2 || !lj14_3 || !lj14_4 || !ptr)
+      error->all(FLERR,"Dihedral charmmfsw is incompatible with Pair style");
+    implicit = *ptr;
+  }
+
+  // constants for applying force switch (LJ) and force_shift (coul)
+  // to 1/4 dihedral atoms to match CHARMM pairwise interactions
+
+  int itmp;
+  int *p_dihedflag = (int *) force->pair->extract("dihedflag",itmp);
+  double *p_cutljinner = (double *) force->pair->extract("cut_lj_inner",itmp);
+  double *p_cutlj = (double *) force->pair->extract("cut_lj",itmp);
+  double *p_cutcoul = (double *) force->pair->extract("cut_coul",itmp);
+  
+  if (p_cutcoul == NULL || p_cutljinner == NULL || 
+      p_cutlj == NULL || p_dihedflag == NULL)
+    error->all(FLERR,"Dihedral charmmfsw is incompatible with Pair style");
+  
+  dihedflag = *p_dihedflag;
+  cut_coul14 = *p_cutcoul;
+  cut_lj_inner14 = *p_cutljinner;
+  cut_lj14 = *p_cutlj;
+
+  cut_coulinv14 = 1/cut_coul14;
+  cut_lj_inner3inv = (1/cut_lj_inner14) * (1/cut_lj_inner14) * 
+    (1/cut_lj_inner14);
+  cut_lj_inner6inv = cut_lj_inner3inv * cut_lj_inner3inv;
+  cut_lj3inv = (1/cut_lj14) * (1/cut_lj14) * (1/cut_lj14);
+  cut_lj6inv = cut_lj3inv * cut_lj3inv;
+}
+
+/* ----------------------------------------------------------------------
+   proc 0 writes out coeffs to restart file
+------------------------------------------------------------------------- */
+
+void DihedralCharmmfsw::write_restart(FILE *fp)
+{
+  fwrite(&k[1],sizeof(double),atom->ndihedraltypes,fp);
+  fwrite(&multiplicity[1],sizeof(int),atom->ndihedraltypes,fp);
+  fwrite(&shift[1],sizeof(int),atom->ndihedraltypes,fp);
+  fwrite(&weight[1],sizeof(double),atom->ndihedraltypes,fp);
+  fwrite(&weightflag,sizeof(int),1,fp);
+}
+
+/* ----------------------------------------------------------------------
+   proc 0 reads coeffs from restart file, bcasts them
+------------------------------------------------------------------------- */
+
+void DihedralCharmmfsw::read_restart(FILE *fp)
+{
+  allocate();
+
+  if (comm->me == 0) {
+    fread(&k[1],sizeof(double),atom->ndihedraltypes,fp);
+    fread(&multiplicity[1],sizeof(int),atom->ndihedraltypes,fp);
+    fread(&shift[1],sizeof(int),atom->ndihedraltypes,fp);
+    fread(&weight[1],sizeof(double),atom->ndihedraltypes,fp);
+    fread(&weightflag,sizeof(int),1,fp);
+  }
+  MPI_Bcast(&k[1],atom->ndihedraltypes,MPI_DOUBLE,0,world);
+  MPI_Bcast(&multiplicity[1],atom->ndihedraltypes,MPI_INT,0,world);
+  MPI_Bcast(&shift[1],atom->ndihedraltypes,MPI_INT,0,world);
+  MPI_Bcast(&weight[1],atom->ndihedraltypes,MPI_DOUBLE,0,world);
+  MPI_Bcast(&weightflag,1,MPI_INT,0,world);
+
+  for (int i = 1; i <= atom->ndihedraltypes; i++) {
+    setflag[i] = 1;
+    cos_shift[i] = cos(MY_PI*shift[i]/180.0);
+    sin_shift[i] = sin(MY_PI*shift[i]/180.0);
+  }
+}
+
+/* ----------------------------------------------------------------------
+   proc 0 writes to data file
+------------------------------------------------------------------------- */
+
+void DihedralCharmmfsw::write_data(FILE *fp)
+{
+  for (int i = 1; i <= atom->ndihedraltypes; i++)
+    fprintf(fp,"%d %g %d %d %g\n",i,k[i],multiplicity[i],shift[i],weight[i]);
+}
+
diff -Naur lammps-31Mar17/src/MOLECULE/dihedral_charmmfsw.h lammps-11Apr17/src/MOLECULE/dihedral_charmmfsw.h
--- lammps-31Mar17/src/MOLECULE/dihedral_charmmfsw.h	1969-12-31 17:00:00.000000000 -0700
+++ lammps-11Apr17/src/MOLECULE/dihedral_charmmfsw.h	2017-04-11 08:47:36.354827000 -0600
@@ -0,0 +1,81 @@
+/* -*- 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 DIHEDRAL_CLASS
+
+DihedralStyle(charmmfsw,DihedralCharmmfsw)
+
+#else
+
+#ifndef LMP_DIHEDRAL_CHARMMFSW_H
+#define LMP_DIHEDRAL_CHARMMFSW_H
+
+#include <stdio.h>
+#include "dihedral.h"
+
+namespace LAMMPS_NS {
+
+class DihedralCharmmfsw : public Dihedral {
+ public:
+  DihedralCharmmfsw(class LAMMPS *);
+  virtual ~DihedralCharmmfsw();
+  virtual void compute(int, int);
+  virtual void coeff(int, char **);
+  virtual void init_style();
+  void write_restart(FILE *);
+  void read_restart(FILE *);
+  void write_data(FILE *);
+
+ protected:
+  int implicit,weightflag,dihedflag;
+  double cut_lj_inner14,cut_lj14,cut_coul14;
+  double evdwl14_12,evdwl14_6,cut_coulinv14;
+  double cut_lj_inner3inv,cut_lj_inner6inv,cut_lj3inv,cut_lj6inv;
+
+  double *k,*weight,*cos_shift,*sin_shift;
+  int *multiplicity,*shift;
+  double **lj14_1,**lj14_2,**lj14_3,**lj14_4;
+
+  virtual void allocate();
+};
+
+}
+
+#endif
+#endif
+
+/* ERROR/WARNING messages:
+
+W: Dihedral problem: %d %ld %d %d %d %d
+
+Conformation of the 4 listed dihedral atoms is extreme; you may want
+to check your simulation geometry.
+
+E: Incorrect args for dihedral coefficients
+
+Self-explanatory.  Check the input script or data file.
+
+E: Incorrect multiplicity arg for dihedral coefficients
+
+Self-explanatory.  Check the input script or data file.
+
+E: Incorrect weight arg for dihedral coefficients
+
+Self-explanatory.  Check the input script or data file.
+
+E: Dihedral charmmfsw is incompatible with Pair style
+
+Dihedral style charmmfsw must be used with a pair style charmm
+in order for the 1-4 epsilon/sigma parameters to be defined.
+
+*/
diff -Naur lammps-31Mar17/src/MPIIO/Install.sh lammps-11Apr17/src/MPIIO/Install.sh
--- lammps-31Mar17/src/MPIIO/Install.sh	2016-08-27 17:09:15.000000000 -0600
+++ lammps-11Apr17/src/MPIIO/Install.sh	2017-04-11 08:33:23.205616000 -0600
@@ -36,7 +36,7 @@
 # all package files with no dependencies
 
 for file in *.cpp *.h; do
-  action $file
+  test -f ${file} && action $file
 done
 
 # edit 2 Makefile.package to include/exclude LMP_MPIIO setting
diff -Naur lammps-31Mar17/src/MSCG/Install.sh lammps-11Apr17/src/MSCG/Install.sh
--- lammps-31Mar17/src/MSCG/Install.sh	2017-01-09 10:39:37.000000000 -0700
+++ lammps-11Apr17/src/MSCG/Install.sh	2017-04-11 08:33:23.205616000 -0600
@@ -25,7 +25,7 @@
 # all package files with no dependencies
 
 for file in *.cpp *.h; do
-  action $file
+  test -f ${file} && action $file
 done
 
 # edit 2 Makefile.package files to include/exclude package info
diff -Naur lammps-31Mar17/src/Makefile lammps-11Apr17/src/Makefile
--- lammps-31Mar17/src/Makefile	2017-01-18 11:33:29.000000000 -0700
+++ lammps-11Apr17/src/Makefile	2017-04-11 08:21:26.546402000 -0600
@@ -43,6 +43,15 @@
 
 # Package variables
 
+# PACKAGE    = standard packages
+# PACKUSER   = user packagse
+# PACKLIB    = all packages that require an additional lib
+# PACKSYS    = subset that reqiure a common system library
+# PACKINT    = subset that require an internal (provided) library
+# PACKEXT    = subset that require an external (downloaded) library
+# PACKLIB    = PACKSYS + PACKING + PACKEXT
+# PACKSCRIPT = libs under lammps/lib that have an Install.py script
+
 PACKAGE = asphere body class2 colloid compress coreshell dipole gpu \
 	  granular kim kokkos kspace manybody mc meam misc molecule \
 	  mpiio mscg opt peri poems \
@@ -55,10 +64,21 @@
 	   user-quip user-reaxc user-smd user-smtbq user-sph user-tally \
 	   user-vtk
 
-PACKLIB = compress gpu kim kokkos meam mpiio mscg poems python reax voronoi \
-	  user-atc user-awpmd user-colvars user-h5md user-lb user-molfile \
+PACKLIB = compress gpu kim kokkos meam mpiio mscg poems \
+	  python reax voronoi \
+	  user-atc user-awpmd user-colvars user-h5md user-molfile \
 	  user-nc-dump user-qmmm user-quip user-smd user-vtk
 
+PACKSYS = compress mpiio python
+
+PACKINT = gpu kokkos meam poems reax user-atc user-awpmd user-colvars
+
+PACKEXT = kim mscg voronoi \
+	  user-h5md user-molfile user-nc-dump user-qmmm user-quip \
+	  user-smd user-vtk
+
+PACKSCRIPT = voronoi
+
 PACKALL = $(PACKAGE) $(PACKUSER)
 
 PACKAGEUC = $(shell echo $(PACKAGE) | tr a-z A-Z)
@@ -66,6 +86,7 @@
 
 YESDIR = $(shell echo $(@:yes-%=%) | tr a-z A-Z)
 NODIR  = $(shell echo $(@:no-%=%) | tr a-z A-Z)
+LIBDIR = $(shell echo $(@:lib-%=%))
 
 # List of all targets
 
@@ -75,9 +96,9 @@
 	@echo 'make clean-machine       delete object files for one machine'
 	@echo 'make mpi-stubs           build dummy MPI library in STUBS'
 	@echo 'make install-python      install LAMMPS wrapper in Python'
-	@echo 'make tar                 create lmp_src.tar.gz of src dir and packages'
+	@echo 'make tar                 create lmp_src.tar.gz for src dir and packages'
 	@echo ''
-	@echo 'make package                 list available packages'
+	@echo 'make package                 list available packages and their dependencies'
 	@echo 'make package-status (ps)     status of all packages'
 	@echo 'make yes-package             install a single pgk in src dir'
 	@echo 'make no-package              remove a single pkg from src dir'
@@ -87,11 +108,16 @@
 	@echo 'make no-standard (no-std)    remove all standard pkgs'
 	@echo 'make yes-user                install all user pkgs'
 	@echo 'make no-user                 remove all user pkgs'
-	@echo 'make no-lib                  remove all pkgs with external libs'
+	@echo 'make yes-lib       install all pkgs with libs (incldued or ext)'
+	@echo 'make no-lib        remove all pkgs with libs (included or ext)'
+	@echo 'make yes-ext                 install all pkgs with external libs'
+	@echo 'make no-ext                  remove all pkgs with external libs'
 	@echo ''
 	@echo 'make package-update (pu) replace src files with updated package files'
 	@echo 'make package-overwrite   replace package files with src files'
 	@echo 'make package-diff (pd)   diff src files against package files'
+	@echo ''
+	@echo 'make lib-package         download/build/install a package library'
 	@echo 'make purge               purge obsolete copies of source files'
 	@echo ''
 	@echo 'make machine             build LAMMPS for machine'
@@ -221,6 +247,13 @@
 	@echo ''
 	@echo 'User-contributed packages:' $(PACKUSER)
 	@echo ''
+	@echo 'Packages that need system libraries:' $(PACKSYS)
+	@echo ''
+	@echo 'Packages that need provided libraries:' $(PACKINT)
+	@echo ''
+	@echo 'Packages that need external libraries:' $(PACKEXT)
+	@echo ''
+	@echo 'make package                 list available packages'
 	@echo 'make package                 list available packages'
 	@echo 'make package-status (ps)     status of all packages'
 	@echo 'make yes-package             install a single pgk in src dir'
@@ -229,13 +262,18 @@
 	@echo 'make no-all                  remove all pkgs from src dir'
 	@echo 'make yes-standard (yes-std)  install all standard pkgs'
 	@echo 'make no-standard (no-srd)    remove all standard pkgs'
-	@echo ''
 	@echo 'make yes-user                install all user pkgs'
 	@echo 'make no-user                 remove all user pkgs'
-	@echo 'make no-lib                  remove all pkgs with external libs'
+	@echo 'make yes-lib       install all pkgs with libs (included or ext)'
+	@echo 'make no-lib        remove all pkgs with libs (included or ext)'
+	@echo 'make yes-ext                 install all pkgs with external libs'
+	@echo 'make no-ext                  remove all pkgs with external libs'
+	@echo ''
 	@echo 'make package-update (pu)  replace src files with package files'
 	@echo 'make package-overwrite    replace package files with src files'
 	@echo 'make package-diff (pd)    diff src files against package file'
+	@echo ''
+	@echo 'make lib-package      download/build/install a package library'
 
 yes-all:
 	@for p in $(PACKALL); do $(MAKE) yes-$$p; done
@@ -255,9 +293,18 @@
 no-user:
 	@for p in $(PACKUSER); do $(MAKE) no-$$p; done
 
+yes-lib:
+	@for p in $(PACKLIB); do $(MAKE) yes-$$p; done
+
 no-lib:
 	@for p in $(PACKLIB); do $(MAKE) no-$$p; done
 
+yes-ext:
+	@for p in $(PACKEXT); do $(MAKE) yes-$$p; done
+
+no-ext:
+	@for p in $(PACKEXT); do $(MAKE) no-$$p; done
+
 yes-%:
 	@if [ ! -e Makefile.package ]; \
 	  then cp Makefile.package.empty Makefile.package; fi
@@ -288,6 +335,16 @@
 		$(SHELL) Depend.sh $(NODIR) 0; \
         fi;
 
+# download/build/install a package library
+
+lib-%:
+	@if [ ! -e ../lib/$(LIBDIR)/Install.py ]; then \
+	  echo "Install script for lib $(@:lib-%=%) does not exist"; \
+	else \
+	  echo "Installing lib for package $(@:lib-%=%)"; \
+	  cd ../lib/$(LIBDIR); python Install.py $(args); \
+	fi;
+
 # status = list src files that differ from package files
 # update = replace src files with newer package files
 # overwrite = overwrite package files with newer src files
diff -Naur lammps-31Mar17/src/POEMS/Install.sh lammps-11Apr17/src/POEMS/Install.sh
--- lammps-31Mar17/src/POEMS/Install.sh	2016-08-27 17:09:15.000000000 -0600
+++ lammps-11Apr17/src/POEMS/Install.sh	2017-04-11 08:33:23.205616000 -0600
@@ -29,7 +29,7 @@
 # all package files with no dependencies
 
 for file in *.cpp *.h; do
-  action $file
+  test -f ${file} && action $file
 done
 
 # edit 2 Makefile.package files to include/exclude package info
diff -Naur lammps-31Mar17/src/PYTHON/Install.sh lammps-11Apr17/src/PYTHON/Install.sh
--- lammps-31Mar17/src/PYTHON/Install.sh	2016-08-27 17:09:15.000000000 -0600
+++ lammps-11Apr17/src/PYTHON/Install.sh	2017-04-11 08:33:23.205616000 -0600
@@ -35,7 +35,7 @@
 # all package files with no dependencies
 
 for file in *.cpp *.h; do
-  action $file
+  test -f ${file} && action $file
 done
 
 # edit 2 Makefile.package files to include/exclude package info
diff -Naur lammps-31Mar17/src/PYTHON/python.cpp lammps-11Apr17/src/PYTHON/python.cpp
--- lammps-31Mar17/src/PYTHON/python.cpp	2017-03-07 09:48:20.000000000 -0700
+++ lammps-11Apr17/src/PYTHON/python.cpp	2017-04-11 08:33:23.205616000 -0600
@@ -37,6 +37,8 @@
 
   nfunc = 0;
   pfuncs = NULL;
+
+  external_interpreter = false;
 }
 
 /* ---------------------------------------------------------------------- */
@@ -44,6 +46,7 @@
 Python::~Python()
 {
   // clean up
+  PyGILState_STATE gstate = PyGILState_Ensure();
 
   for (int i = 0; i < nfunc; i++) {
     delete [] pfuncs[i].name;
@@ -54,7 +57,12 @@
 
   // shutdown Python interpreter
 
-  if (pyMain) Py_Finalize();
+  if (pyMain && !external_interpreter) {
+    Py_Finalize();
+  }
+  else {
+    PyGILState_Release(gstate);
+  }
 
   memory->sfree(pfuncs);
 }
@@ -147,27 +155,20 @@
   int ifunc = create_entry(arg[0]);
 
   // one-time initialization of Python interpreter
-  // Py_SetArgv() enables finding of *.py module files in current dir
-  //   only needed for module load, not for direct file read into __main__
   // pymain stores pointer to main module
+  PyGILState_STATE gstate;
 
   if (pyMain == NULL) {
-    if (Py_IsInitialized())
-      error->all(FLERR,"Cannot embed Python when also "
-                 "extending Python with LAMMPS");
+    external_interpreter = Py_IsInitialized();
     Py_Initialize();
-
-    //char *arg = (char *) "./lmp";
-    //PySys_SetArgv(1,&arg);
-
-    //PyObject *pName = PyString_FromString("__main__");
-    //if (!pName) errorX->all(FLERR,"Bad pName");
-    //PyObject *pModule = PyImport_Import(pName);
-    //Py_DECREF(pName);
+    PyEval_InitThreads();
+    gstate = PyGILState_Ensure();
 
     PyObject *pModule = PyImport_AddModule("__main__");
     if (!pModule) error->all(FLERR,"Could not initialize embedded Python");
     pyMain = (void *) pModule;
+  } else {
+    gstate = PyGILState_Ensure();
   }
 
   // send Python code to Python interpreter
@@ -177,22 +178,44 @@
 
   if (pyfile) {
     FILE *fp = fopen(pyfile,"r");
-    if (fp == NULL) error->all(FLERR,"Could not open Python file");
+
+    if (fp == NULL) {
+      PyGILState_Release(gstate);
+      error->all(FLERR,"Could not open Python file");
+    }
+
     int err = PyRun_SimpleFile(fp,pyfile);
-    if (err) error->all(FLERR,"Could not process Python file");
+
+    if (err) {
+      PyGILState_Release(gstate);
+      error->all(FLERR,"Could not process Python file");
+    }
+
     fclose(fp);
   } else if (herestr) {
     int err = PyRun_SimpleString(herestr);
-    if (err) error->all(FLERR,"Could not process Python string");
+
+    if (err) {
+      PyGILState_Release(gstate);
+      error->all(FLERR,"Could not process Python string");
+    }
   }
 
   // pFunc = function object for requested function
 
   PyObject *pModule = (PyObject *) pyMain;
   PyObject *pFunc = PyObject_GetAttrString(pModule,pfuncs[ifunc].name);
-  if (!pFunc) error->all(FLERR,"Could not find Python function");
-  if (!PyCallable_Check(pFunc))
+
+  if (!pFunc) {
+    PyGILState_Release(gstate);
+    error->all(FLERR,"Could not find Python function");
+  }
+
+  if (!PyCallable_Check(pFunc)) {
+    PyGILState_Release(gstate);
     error->all(FLERR,"Python function is not callable");
+  }
+
   pfuncs[ifunc].pFunc = (void *) pFunc;
 
   // clean-up input storage
@@ -200,12 +223,14 @@
   delete [] istr;
   delete [] format;
   delete [] pyfile;
+  PyGILState_Release(gstate);
 }
 
 /* ------------------------------------------------------------------ */
 
 void Python::invoke_function(int ifunc, char *result)
 {
+  PyGILState_STATE gstate = PyGILState_Ensure();
   PyObject *pValue;
   char *str;
 
@@ -215,29 +240,43 @@
 
   int ninput = pfuncs[ifunc].ninput;
   PyObject *pArgs = PyTuple_New(ninput);
-  if (!pArgs) error->all(FLERR,"Could not create Python function arguments");
+
+  if (!pArgs) {
+    PyGILState_Release(gstate);
+    error->all(FLERR,"Could not create Python function arguments");
+  }
 
   for (int i = 0; i < ninput; i++) {
     int itype = pfuncs[ifunc].itype[i];
     if (itype == INT) {
       if (pfuncs[ifunc].ivarflag[i]) {
         str = input->variable->retrieve(pfuncs[ifunc].svalue[i]);
-        if (!str)
+
+        if (!str) {
+          PyGILState_Release(gstate);
           error->all(FLERR,"Could not evaluate Python function input variable");
+        }
+
         pValue = PyInt_FromLong(atoi(str));
       } else pValue = PyInt_FromLong(pfuncs[ifunc].ivalue[i]);
     } else if (itype == DOUBLE) {
       if (pfuncs[ifunc].ivarflag[i]) {
         str = input->variable->retrieve(pfuncs[ifunc].svalue[i]);
-        if (!str)
+
+        if (!str) {
+          PyGILState_Release(gstate);
           error->all(FLERR,"Could not evaluate Python function input variable");
+        }
+
         pValue = PyFloat_FromDouble(atof(str));
       } else pValue = PyFloat_FromDouble(pfuncs[ifunc].dvalue[i]);
     } else if (itype == STRING) {
       if (pfuncs[ifunc].ivarflag[i]) {
         str = input->variable->retrieve(pfuncs[ifunc].svalue[i]);
-        if (!str)
+        if (!str) {
+          PyGILState_Release(gstate);
           error->all(FLERR,"Could not evaluate Python function input variable");
+        }
         pValue = PyString_FromString(str);
       } else pValue = PyString_FromString(pfuncs[ifunc].svalue[i]);
     } else if (itype == PTR) {
@@ -250,7 +289,12 @@
   // error check with one() since only some procs may fail
 
   pValue = PyObject_CallObject(pFunc,pArgs);
-  if (!pValue) error->one(FLERR,"Python function evaluation failed");
+
+  if (!pValue) {
+    PyGILState_Release(gstate);
+    error->one(FLERR,"Python function evaluation failed");
+  }
+
   Py_DECREF(pArgs);
 
   // function returned a value
@@ -271,6 +315,8 @@
     }
     Py_DECREF(pValue);
   }
+
+  PyGILState_Release(gstate);
 }
 
 /* ------------------------------------------------------------------ */
diff -Naur lammps-31Mar17/src/PYTHON/python.h lammps-11Apr17/src/PYTHON/python.h
--- lammps-31Mar17/src/PYTHON/python.h	2017-03-07 09:48:20.000000000 -0700
+++ lammps-11Apr17/src/PYTHON/python.h	2017-04-11 08:33:23.205616000 -0600
@@ -21,6 +21,7 @@
 class Python : protected Pointers {
  public:
   int python_exists;
+  bool external_interpreter;
 
   Python(class LAMMPS *);
   ~Python();
diff -Naur lammps-31Mar17/src/REAX/Install.sh lammps-11Apr17/src/REAX/Install.sh
--- lammps-31Mar17/src/REAX/Install.sh	2016-08-27 17:09:15.000000000 -0600
+++ lammps-11Apr17/src/REAX/Install.sh	2017-04-11 08:33:23.205616000 -0600
@@ -29,7 +29,7 @@
 # all package files with no dependencies
 
 for file in *.cpp *.h; do
-  action $file
+  test -f ${file} && action $file
 done
 
 # edit 2 Makefile.package files to include/exclude package info
diff -Naur lammps-31Mar17/src/REPLICA/compute_event_displace.cpp lammps-11Apr17/src/REPLICA/compute_event_displace.cpp
--- lammps-31Mar17/src/REPLICA/compute_event_displace.cpp	2017-01-05 13:55:13.000000000 -0700
+++ lammps-11Apr17/src/REPLICA/compute_event_displace.cpp	2017-04-06 09:04:25.553517000 -0600
@@ -84,7 +84,7 @@
 }
 
 /* ----------------------------------------------------------------------
-   return non-zero if an atom has moved > displace_dist since last event
+   return non-zero if any atom has moved > displace_dist since last event
 ------------------------------------------------------------------------- */
 
 double ComputeEventDisplace::compute_scalar()
@@ -145,6 +145,62 @@
   return scalar;
 }
 
+/* ----------------------------------------------------------------------
+   return count of atoms that have moved > displace_dist since last event
+------------------------------------------------------------------------- */
+
+int ComputeEventDisplace::all_events()
+{
+  invoked_scalar = update->ntimestep;
+
+  if (id_event == NULL) return 0.0;
+
+  int event = 0;
+  double **xevent = fix_event->array_atom;
+
+  double **x = atom->x;
+  int *mask = atom->mask;
+  imageint *image = atom->image;
+  int nlocal = atom->nlocal;
+
+  double *h = domain->h;
+  double xprd = domain->xprd;
+  double yprd = domain->yprd;
+  double zprd = domain->zprd;
+  int xbox,ybox,zbox;
+  double dx,dy,dz,rsq;
+
+  if (triclinic == 0) {
+    for (int i = 0; i < nlocal; i++)
+      if (mask[i] & groupbit) {
+        xbox = (image[i] & IMGMASK) - IMGMAX;
+        ybox = (image[i] >> IMGBITS & IMGMASK) - IMGMAX;
+        zbox = (image[i] >> IMG2BITS) - IMGMAX;
+        dx = x[i][0] + xbox*xprd - xevent[i][0];
+        dy = x[i][1] + ybox*yprd - xevent[i][1];
+        dz = x[i][2] + zbox*zprd - xevent[i][2];
+        rsq = dx*dx + dy*dy + dz*dz;
+        if (rsq >= displace_distsq) event++;
+      }
+  } else {
+    for (int i = 0; i < nlocal; i++)
+      if (mask[i] & groupbit) {
+        xbox = (image[i] & IMGMASK) - IMGMAX;
+        ybox = (image[i] >> IMGBITS & IMGMASK) - IMGMAX;
+        zbox = (image[i] >> IMG2BITS) - IMGMAX;
+        dx = x[i][0] + h[0]*xbox + h[5]*ybox + h[4]*zbox - xevent[i][0];
+        dy = x[i][1] + h[1]*ybox + h[3]*zbox - xevent[i][1];
+        dz = x[i][2] + h[2]*zbox - xevent[i][2];
+        rsq = dx*dx + dy*dy + dz*dz;
+        if (rsq >= displace_distsq) event++;
+      }
+  }
+
+  int allevents;
+  MPI_Allreduce(&event,&allevents,1,MPI_INT,MPI_SUM,world);
+
+  return allevents;
+}
 
 /* ---------------------------------------------------------------------- */
 
diff -Naur lammps-31Mar17/src/REPLICA/compute_event_displace.h lammps-11Apr17/src/REPLICA/compute_event_displace.h
--- lammps-31Mar17/src/REPLICA/compute_event_displace.h	2014-10-21 11:09:24.000000000 -0600
+++ lammps-11Apr17/src/REPLICA/compute_event_displace.h	2017-04-06 09:04:25.553517000 -0600
@@ -30,8 +30,11 @@
   ~ComputeEventDisplace();
   void init();
   double compute_scalar();
+
+  int all_events();
   void reset_extra_compute_fix(const char *);
 
+  
  private:
   int triclinic;
   double displace_distsq;
diff -Naur lammps-31Mar17/src/USER-ATC/Install.sh lammps-11Apr17/src/USER-ATC/Install.sh
--- lammps-31Mar17/src/USER-ATC/Install.sh	2016-08-27 17:09:15.000000000 -0600
+++ lammps-11Apr17/src/USER-ATC/Install.sh	2017-04-11 08:33:23.205616000 -0600
@@ -29,7 +29,7 @@
 # all package files with no dependencies
 
 for file in *.cpp *.h; do
-  action $file
+  test -f ${file} && action $file
 done
 
 # edit 2 Makefile.package files to include/exclude package info
diff -Naur lammps-31Mar17/src/USER-AWPMD/Install.sh lammps-11Apr17/src/USER-AWPMD/Install.sh
--- lammps-31Mar17/src/USER-AWPMD/Install.sh	2016-08-27 17:09:15.000000000 -0600
+++ lammps-11Apr17/src/USER-AWPMD/Install.sh	2017-04-11 08:33:23.205616000 -0600
@@ -29,7 +29,7 @@
 # all package files with no dependencies
 
 for file in *.cpp *.h; do
-  action $file
+  test -f ${file} && action $file
 done
 
 # edit 2 Makefile.package files to include/exclude package info
diff -Naur lammps-31Mar17/src/USER-COLVARS/Install.sh lammps-11Apr17/src/USER-COLVARS/Install.sh
--- lammps-31Mar17/src/USER-COLVARS/Install.sh	2016-08-27 17:09:15.000000000 -0600
+++ lammps-11Apr17/src/USER-COLVARS/Install.sh	2017-04-11 08:33:23.205616000 -0600
@@ -29,7 +29,7 @@
 # all package files with no dependencies
 
 for file in *.cpp *.h; do
-  action $file
+  test -f ${file} && action $file
 done
 
 # edit 2 Makefile.package files to include/exclude package info
diff -Naur lammps-31Mar17/src/USER-H5MD/Install.sh lammps-11Apr17/src/USER-H5MD/Install.sh
--- lammps-31Mar17/src/USER-H5MD/Install.sh	2016-08-27 17:09:15.000000000 -0600
+++ lammps-11Apr17/src/USER-H5MD/Install.sh	2017-04-11 08:33:23.205616000 -0600
@@ -27,7 +27,7 @@
 }
 
 for file in *.cpp *.h; do
-  action $file
+  test -f ${file} && action $file
 done
 
 # edit 2 Makefile.package files to include/exclude package info
diff -Naur lammps-31Mar17/src/USER-MANIFOLD/fix_nve_manifold_rattle.cpp lammps-11Apr17/src/USER-MANIFOLD/fix_nve_manifold_rattle.cpp
--- lammps-31Mar17/src/USER-MANIFOLD/fix_nve_manifold_rattle.cpp	2017-03-28 12:36:06.000000000 -0600
+++ lammps-11Apr17/src/USER-MANIFOLD/fix_nve_manifold_rattle.cpp	2017-04-11 08:33:23.205616000 -0600
@@ -94,6 +94,7 @@
   dof_flag = 1;
 
   nevery = 0;
+  next_output = 0;
   dtv = dtf = 0;
 
   tolerance = force->numeric( FLERR, arg[3] );
@@ -145,6 +146,11 @@
   while( argi < narg ){
     if( strcmp(arg[argi], "every") == 0 ){
       nevery = force->inumeric(FLERR,arg[argi+1]);
+      next_output = update->ntimestep + nevery;
+      if( comm->me == 0 ){
+        fprintf(screen,"Outputing every %d steps, next is %d\n",
+			nevery, next_output);
+      }
       argi += 2;
     }else if( error_on_unknown_keyword ){
       char msg[2048];
@@ -220,6 +226,11 @@
             x_iters * inv_tdiff, v_iters * inv_tdiff, stats.dofs_removed);
     fprintf(screen,"\n");
   }
+
+  stats.x_iters_per_atom = 0;
+  stats.v_iters_per_atom = 0;
+  stats.x_iters = 0;
+  stats.v_iters = 0;
 }
 
 
@@ -263,14 +274,6 @@
 void FixNVEManifoldRattle::update_var_params()
 {
  
-  if( nevery > 0 ){
-    stats.x_iters = 0;
-    stats.v_iters = 0;
-    stats.natoms  = 0;
-    stats.x_iters_per_atom = 0.0;
-    stats.v_iters_per_atom = 0.0;
-  }
-
   double *ptr_params = ptr_m->params;
   
   for( int i = 0; i < nvars; ++i ){
@@ -358,7 +361,12 @@
    ---------------------------------------------------------------------------*/
 void FixNVEManifoldRattle::end_of_step()
 {
-  print_stats( "nve/manifold/rattle" );
+  if (nevery && (update->ntimestep == next_output)){
+    if( comm->me == 0 ){
+      print_stats( "nve/manifold/rattle" );
+      next_output += nevery;
+    }
+  }
 }
 
 /* -----------------------------------------------------------------------------
diff -Naur lammps-31Mar17/src/USER-MANIFOLD/fix_nve_manifold_rattle.h lammps-11Apr17/src/USER-MANIFOLD/fix_nve_manifold_rattle.h
--- lammps-31Mar17/src/USER-MANIFOLD/fix_nve_manifold_rattle.h	2016-05-10 14:03:52.000000000 -0600
+++ lammps-11Apr17/src/USER-MANIFOLD/fix_nve_manifold_rattle.h	2017-04-11 08:33:23.205616000 -0600
@@ -81,7 +81,7 @@
 
    protected:
 
-    int nevery;
+    int nevery, next_output;
 
     double dtv, dtf;
     double tolerance;
diff -Naur lammps-31Mar17/src/USER-MISC/Install.sh lammps-11Apr17/src/USER-MISC/Install.sh
--- lammps-31Mar17/src/USER-MISC/Install.sh	2016-08-27 17:09:15.000000000 -0600
+++ lammps-11Apr17/src/USER-MISC/Install.sh	2017-04-11 08:33:23.205616000 -0600
@@ -35,6 +35,6 @@
   elif (test $file = "pair_cdeam.h") then
     action pair_cdeam.h pair_eam_alloy.cpp
   else
-    action $file
+    test -f ${file} && action $file
   fi
 done
diff -Naur lammps-31Mar17/src/USER-MOLFILE/Install.sh lammps-11Apr17/src/USER-MOLFILE/Install.sh
--- lammps-31Mar17/src/USER-MOLFILE/Install.sh	2016-08-27 17:09:15.000000000 -0600
+++ lammps-11Apr17/src/USER-MOLFILE/Install.sh	2017-04-11 08:33:23.205616000 -0600
@@ -29,7 +29,7 @@
 # all package files with no dependencies
 
 for file in *.cpp *.h; do
-  action $file
+  test -f ${file} && action $file
 done
 
 # edit 2 Makefile.package files to include/exclude package info
diff -Naur lammps-31Mar17/src/USER-NC-DUMP/Install.sh lammps-11Apr17/src/USER-NC-DUMP/Install.sh
--- lammps-31Mar17/src/USER-NC-DUMP/Install.sh	2016-10-19 08:42:24.000000000 -0600
+++ lammps-11Apr17/src/USER-NC-DUMP/Install.sh	2017-04-11 08:33:23.205616000 -0600
@@ -27,7 +27,7 @@
 }
 
 for file in *.cpp *.h; do
-  action $file
+  test -f ${file} && action $file
 done
 
 # edit 2 Makefile.package files to include/exclude package info
diff -Naur lammps-31Mar17/src/USER-QMMM/Install.sh lammps-11Apr17/src/USER-QMMM/Install.sh
--- lammps-31Mar17/src/USER-QMMM/Install.sh	2016-08-27 17:09:15.000000000 -0600
+++ lammps-11Apr17/src/USER-QMMM/Install.sh	2017-04-11 08:33:23.205616000 -0600
@@ -29,7 +29,7 @@
 # all package files with no dependencies
 
 for file in *.cpp *.h; do
-  action $file
+  test -f ${file} && action $file
 done
 
 # edit 2 Makefile.package files to include/exclude package info
diff -Naur lammps-31Mar17/src/USER-QUIP/Install.sh lammps-11Apr17/src/USER-QUIP/Install.sh
--- lammps-31Mar17/src/USER-QUIP/Install.sh	2016-08-27 17:09:15.000000000 -0600
+++ lammps-11Apr17/src/USER-QUIP/Install.sh	2017-04-11 08:33:23.205616000 -0600
@@ -29,7 +29,7 @@
 # all package files with no dependencies
 
 for file in *.cpp *.h; do
-  action $file
+  test -f ${file} && action $file
 done
 
 # edit 2 Makefile.package files to include/exclude package info
diff -Naur lammps-31Mar17/src/USER-SMD/Install.sh lammps-11Apr17/src/USER-SMD/Install.sh
--- lammps-31Mar17/src/USER-SMD/Install.sh	2016-08-27 17:09:15.000000000 -0600
+++ lammps-11Apr17/src/USER-SMD/Install.sh	2017-04-11 08:33:23.205616000 -0600
@@ -29,7 +29,7 @@
 # all package files with no dependencies
 
 for file in *.cpp *.h; do
-  action $file
+  test -f ${file} && action $file
 done
 
 # edit 2 Makefile.package files to include/exclude package info
diff -Naur lammps-31Mar17/src/USER-VTK/Install.sh lammps-11Apr17/src/USER-VTK/Install.sh
--- lammps-31Mar17/src/USER-VTK/Install.sh	2016-08-27 17:09:15.000000000 -0600
+++ lammps-11Apr17/src/USER-VTK/Install.sh	2017-04-11 08:33:23.205616000 -0600
@@ -27,7 +27,7 @@
 }
 
 for file in *.cpp *.h; do
-  action $file
+  test -f ${file} && action $file
 done
 
 # edit 2 Makefile.package files to include/exclude package info
diff -Naur lammps-31Mar17/src/VORONOI/Install.sh lammps-11Apr17/src/VORONOI/Install.sh
--- lammps-31Mar17/src/VORONOI/Install.sh	2016-08-27 17:09:15.000000000 -0600
+++ lammps-11Apr17/src/VORONOI/Install.sh	2017-04-11 08:33:19.420507000 -0600
@@ -29,7 +29,7 @@
 # all package files with no dependencies
 
 for file in *.cpp *.h; do
-  action $file
+  test -f ${file} && action $file
 done
 
 # edit 2 Makefile.package files to include/exclude package info
diff -Naur lammps-31Mar17/src/bond.cpp lammps-11Apr17/src/bond.cpp
--- lammps-31Mar17/src/bond.cpp	2017-03-10 14:51:50.000000000 -0700
+++ lammps-11Apr17/src/bond.cpp	2017-04-11 08:33:23.205616000 -0600
@@ -292,3 +292,14 @@
   bytes += comm->nthreads*maxvatom*6 * sizeof(double);
   return bytes;
 }
+
+/* -----------------------------------------------------------------------
+   Reset all type-based bond params via init.
+-------------------------------------------------------------------------- */
+void Bond::reinit()
+{
+  if (!reinitflag)
+    error->all(FLERR,"Fix adapt interface to this bond style not supported");
+
+  init();
+}
diff -Naur lammps-31Mar17/src/bond.h lammps-11Apr17/src/bond.h
--- lammps-31Mar17/src/bond.h	2017-03-10 14:51:50.000000000 -0700
+++ lammps-11Apr17/src/bond.h	2017-04-11 08:33:23.205616000 -0600
@@ -30,6 +30,8 @@
   double virial[6];               // accumulated virial
   double *eatom,**vatom;          // accumulated per-atom energy/virial
 
+  int reinitflag;                // 1 if compatible with fix adapt and alike
+
   // KOKKOS host/device flag and data masks
 
   ExecutionSpace execution_space;
@@ -49,6 +51,8 @@
   virtual void write_data(FILE *) {}
   virtual double single(int, double, int, int, double &) = 0;
   virtual double memory_usage();
+  virtual void *extract(char *, int &) {return NULL;}
+  virtual void reinit();
 
   void write_file(int, char**);
 
diff -Naur lammps-31Mar17/src/compute_temp_sphere.cpp lammps-11Apr17/src/compute_temp_sphere.cpp
--- lammps-31Mar17/src/compute_temp_sphere.cpp	2016-08-29 16:52:03.000000000 -0600
+++ lammps-11Apr17/src/compute_temp_sphere.cpp	2017-04-11 08:33:23.205616000 -0600
@@ -67,6 +67,11 @@
     } else error->all(FLERR,"Illegal compute temp/sphere command");
   }
 
+  // when computing only the rotational temperature,
+  // do not remove DOFs for translation as set by default
+
+  if (mode == ROTATE) extra_dof = 0;
+
   vector = new double[6];
 
   // error checks
diff -Naur lammps-31Mar17/src/finish.cpp lammps-11Apr17/src/finish.cpp
--- lammps-31Mar17/src/finish.cpp	2017-02-13 15:01:06.000000000 -0700
+++ lammps-11Apr17/src/finish.cpp	2017-04-11 08:19:45.963752000 -0600
@@ -130,7 +130,7 @@
                           atom->natoms);
       if (logfile) fprintf(logfile,fmt1,time_loop,ntasks,update->nsteps,
                            atom->natoms);
-
+      
       // Gromacs/NAMD-style performance metric for suitable unit settings
 
       if ( timeflag && !minflag && !prdflag && !tadflag &&
@@ -144,7 +144,7 @@
         double one_fs = force->femtosecond;
         double t_step = ((double) time_loop) / ((double) update->nsteps);
         double step_t = 1.0/t_step;
-
+        
         if (strcmp(update->unit_style,"lj") == 0) {
           double tau_day = 24.0*3600.0 / t_step * update->dt / one_fs;
           const char perf[] = "Performance: %.3f tau/day, %.3f timesteps/s\n";
@@ -161,26 +161,28 @@
       }
 
       // CPU use on MPI tasks and OpenMP threads
-
-      if (lmp->kokkos) {
-        const char fmt2[] =
-          "%.1f%% CPU use with %d MPI tasks x %d OpenMP threads\n";
-        if (screen) fprintf(screen,fmt2,cpu_loop,nprocs,
-                            lmp->kokkos->num_threads);
-        if (logfile) fprintf(logfile,fmt2,cpu_loop,nprocs,
-                             lmp->kokkos->num_threads);
-      } else {
+      
+      if (timeflag) {
+        if (lmp->kokkos) {
+          const char fmt2[] =
+            "%.1f%% CPU use with %d MPI tasks x %d OpenMP threads\n";
+          if (screen) fprintf(screen,fmt2,cpu_loop,nprocs,
+                              lmp->kokkos->num_threads);
+          if (logfile) fprintf(logfile,fmt2,cpu_loop,nprocs,
+                               lmp->kokkos->num_threads);
+        } else {
 #if defined(_OPENMP)
-        const char fmt2[] =
-        "%.1f%% CPU use with %d MPI tasks x %d OpenMP threads\n";
-        if (screen) fprintf(screen,fmt2,cpu_loop,nprocs,nthreads);
-        if (logfile) fprintf(logfile,fmt2,cpu_loop,nprocs,nthreads);
+          const char fmt2[] =
+            "%.1f%% CPU use with %d MPI tasks x %d OpenMP threads\n";
+          if (screen) fprintf(screen,fmt2,cpu_loop,nprocs,nthreads);
+          if (logfile) fprintf(logfile,fmt2,cpu_loop,nprocs,nthreads);
 #else
-        const char fmt2[] =
-          "%.1f%% CPU use with %d MPI tasks x no OpenMP threads\n";
-        if (screen) fprintf(screen,fmt2,cpu_loop,nprocs);
-        if (logfile) fprintf(logfile,fmt2,cpu_loop,nprocs);
+          const char fmt2[] =
+            "%.1f%% CPU use with %d MPI tasks x no OpenMP threads\n";
+          if (screen) fprintf(screen,fmt2,cpu_loop,nprocs);
+          if (logfile) fprintf(logfile,fmt2,cpu_loop,nprocs);
 #endif
+        }
       }
     }
   }
diff -Naur lammps-31Mar17/src/fix_adapt.cpp lammps-11Apr17/src/fix_adapt.cpp
--- lammps-31Mar17/src/fix_adapt.cpp	2016-11-04 11:01:14.000000000 -0600
+++ lammps-11Apr17/src/fix_adapt.cpp	2017-04-11 08:54:47.216460000 -0600
@@ -16,6 +16,7 @@
 #include <stdlib.h>
 #include "fix_adapt.h"
 #include "atom.h"
+#include "bond.h"
 #include "update.h"
 #include "group.h"
 #include "modify.h"
@@ -35,7 +36,7 @@
 using namespace FixConst;
 using namespace MathConst;
 
-enum{PAIR,KSPACE,ATOM};
+enum{PAIR,KSPACE,ATOM,BOND};
 enum{DIAMETER,CHARGE};
 
 /* ---------------------------------------------------------------------- */
@@ -68,6 +69,10 @@
       if (iarg+3 > narg) error->all(FLERR,"Illegal fix adapt command");
       nadapt++;
       iarg += 3;
+    } else if (strcmp(arg[iarg],"bond") == 0 ){
+      if (iarg+5 > narg) error->all(FLERR,"Illegal fix adapt command");
+      nadapt++;
+      iarg += 5;
     } else break;
   }
 
@@ -103,6 +108,25 @@
       } else error->all(FLERR,"Illegal fix adapt command");
       nadapt++;
       iarg += 6;
+    } else if (strcmp(arg[iarg],"bond") == 0 ){
+      if (iarg+5 > narg) error->all(FLERR, "Illegal fix adapt command");
+      adapt[nadapt].which = BOND;
+      int n = strlen(arg[iarg+1]) + 1;
+      adapt[nadapt].bstyle = new char[n];
+      strcpy(adapt[nadapt].bstyle,arg[iarg+1]);
+      n = strlen(arg[iarg+2]) + 1;
+      adapt[nadapt].bparam = new char[n];
+      adapt[nadapt].bond = NULL;
+      strcpy(adapt[nadapt].bparam,arg[iarg+2]);
+      force->bounds(FLERR,arg[iarg+3],atom->ntypes,
+                    adapt[nadapt].ilo,adapt[nadapt].ihi);
+      if (strstr(arg[iarg+4],"v_") == arg[iarg+4]) {
+        n = strlen(&arg[iarg+4][2]) + 1;
+        adapt[nadapt].var = new char[n];
+        strcpy(adapt[nadapt].var,&arg[iarg+4][2]);
+      } else error->all(FLERR,"Illegal fix adapt command");
+      nadapt++;
+      iarg += 5;
     } else if (strcmp(arg[iarg],"kspace") == 0) {
       if (iarg+2 > narg) error->all(FLERR,"Illegal fix adapt command");
       adapt[nadapt].which = KSPACE;
@@ -160,6 +184,13 @@
   for (int m = 0; m < nadapt; m++)
     if (adapt[m].which == PAIR)
       memory->create(adapt[m].array_orig,n+1,n+1,"adapt:array_orig");
+
+  // allocate bond style arrays:
+
+  n = atom->nbondtypes;
+  for (int m = 0; m < nadapt; ++m)
+    if (adapt[m].which == BOND)
+      memory->create(adapt[m].vector_orig,n+1,"adapt:vector_orig");
 }
 
 /* ---------------------------------------------------------------------- */
@@ -172,6 +203,10 @@
       delete [] adapt[m].pstyle;
       delete [] adapt[m].pparam;
       memory->destroy(adapt[m].array_orig);
+    } else if (adapt[m].which == BOND) {
+      delete [] adapt[m].bstyle;
+      delete [] adapt[m].bparam;
+      memory->destroy(adapt[m].vector_orig);
     }
   }
   delete [] adapt;
@@ -282,6 +317,7 @@
   // setup and error checks
 
   anypair = 0;
+  anybond = 0;
 
   for (int m = 0; m < nadapt; m++) {
     Adapt *ad = &adapt[m];
@@ -350,7 +386,42 @@
       }
 
       delete [] pstyle;
+    } else if (ad->which == BOND){
+      ad->bond = NULL;
+      anybond = 1;
+      
+      int n = strlen(ad->bstyle) + 1;
+      char *bstyle = new char[n];
+      strcpy(bstyle,ad->bstyle);
+
+      if (lmp->suffix_enable) {
+        int len = 2 + strlen(bstyle) + strlen(lmp->suffix);
+        char *bsuffix = new char[len];
+        strcpy(bsuffix,bstyle);
+        strcat(bsuffix,"/");
+        strcat(bsuffix,lmp->suffix);
+        ad->bond = force->bond_match(bsuffix);
+        delete [] bsuffix;
+      }
+      if (ad->bond == NULL) ad->bond = force->bond_match(bstyle);
+      if (ad->bond == NULL )
+        error->all(FLERR,"Fix adapt bond style does not exist");
+
+      void *ptr = ad->bond->extract(ad->bparam,ad->bdim);
+      
+      if (ptr == NULL)
+        error->all(FLERR,"Fix adapt bond style param not supported");
 
+      // for bond styles, use a vector
+
+      if (ad->bdim == 1) ad->vector = (double *) ptr;
+
+      if (strcmp(force->bond_style,"hybrid") == 0 ||
+          strcmp(force->bond_style,"hybrid_overlay") == 0)
+        error->all(FLERR,"Fix adapt does not support bond_style hybrid");
+
+      delete [] bstyle;
+        
     } else if (ad->which == KSPACE) {
       if (force->kspace == NULL)
         error->all(FLERR,"Fix adapt kspace style does not exist");
@@ -368,7 +439,7 @@
     }
   }
 
-  // make copy of original pair array values
+  // make copy of original pair/bond array values
 
   for (int m = 0; m < nadapt; m++) {
     Adapt *ad = &adapt[m];
@@ -376,9 +447,14 @@
       for (i = ad->ilo; i <= ad->ihi; i++)
         for (j = MAX(ad->jlo,i); j <= ad->jhi; j++)
           ad->array_orig[i][j] = ad->array[i][j];
-    }else if (ad->which == PAIR && ad->pdim == 0){
+    } else if (ad->which == PAIR && ad->pdim == 0){
       ad->scalar_orig = *ad->scalar;
+      
+    } else if (ad->which == BOND && ad->bdim == 1){
+      for (i = ad->ilo; i <= ad->ihi; ++i )
+        ad->vector_orig[i] = ad->vector[i];
     }
+    
   }
 
   // fixes that store initial per-atom values
@@ -470,6 +546,18 @@
               ad->array[i][j] = value;
       }
 
+    // set bond type array values:
+      
+    } else if (ad->which == BOND) {
+      if (ad->bdim == 1){
+        if (scaleflag)
+          for (i = ad->ilo; i <= ad->ihi; ++i )
+            ad->vector[i] = value*ad->vector_orig[i];
+        else
+          for (i = ad->ilo; i <= ad->ihi; ++i )
+            ad->vector[i] = value;
+      }
+      
     // set kspace scale factor
 
     } else if (ad->which == KSPACE) {
@@ -522,8 +610,10 @@
   modify->addstep_compute(update->ntimestep + nevery);
 
   // re-initialize pair styles if any PAIR settings were changed
+  // ditto for bond styles if any BOND setitings were changes
   // this resets other coeffs that may depend on changed values,
-  // and also offset and tail corrections
+  //   and also offset and tail corrections
+
   if (anypair) {
     for (int m = 0; m < nadapt; m++) {
       Adapt *ad = &adapt[m];
@@ -532,6 +622,14 @@
       }
     }
   }
+  if (anybond) {
+    for (int m = 0; m < nadapt; ++m ) {
+      Adapt *ad = &adapt[m];
+      if (ad->which == BOND) {
+        ad->bond->reinit();
+      }
+    }
+  }
 
   // reset KSpace charges if charges have changed
 
@@ -554,6 +652,12 @@
             ad->array[i][j] = ad->array_orig[i][j];
       }
 
+    } else if (ad->which == BOND) {
+      if (ad->pdim == 1) {
+        for (int i = ad->ilo; i <= ad->ihi; i++)
+          ad->vector[i] = ad->vector_orig[i];
+      }
+      
     } else if (ad->which == KSPACE) {
       *kspace_scale = 1.0;
 
@@ -588,6 +692,7 @@
   }
 
   if (anypair) force->pair->reinit();
+  if (anybond) force->bond->reinit();
   if (chgflag && force->kspace) force->kspace->qsum_qsq();
 }
 
diff -Naur lammps-31Mar17/src/fix_adapt.h lammps-11Apr17/src/fix_adapt.h
--- lammps-31Mar17/src/fix_adapt.h	2016-02-17 08:56:48.000000000 -0700
+++ lammps-11Apr17/src/fix_adapt.h	2017-04-11 08:33:23.205616000 -0600
@@ -43,7 +43,7 @@
 
  private:
   int nadapt,resetflag,scaleflag;
-  int anypair;
+  int anypair, anybond;
   int nlevels_respa;
   char *id_fix_diam,*id_fix_chg;
   class FixStore *fix_diam,*fix_chg;
@@ -52,12 +52,15 @@
     int which,ivar;
     char *var;
     char *pstyle,*pparam;
+    char *bstyle,*bparam;
     int ilo,ihi,jlo,jhi;
-    int pdim;
+    int pdim,bdim;
     double *scalar,scalar_orig;
+    double *vector,*vector_orig;
     double **array,**array_orig;
     int aparam;
     class Pair *pair;
+    class Bond *bond;
   };
 
   Adapt *adapt;
diff -Naur lammps-31Mar17/src/fix_ave_histo.cpp lammps-11Apr17/src/fix_ave_histo.cpp
--- lammps-31Mar17/src/fix_ave_histo.cpp	2016-08-29 17:49:20.000000000 -0600
+++ lammps-11Apr17/src/fix_ave_histo.cpp	2017-04-11 08:33:23.205616000 -0600
@@ -205,14 +205,18 @@
   for (int i = 0; i < nvalues; i++) {
     if (which[i] == X || which[i] == V || which[i] == F) kindflag = PERATOM;
     else if (which[i] == COMPUTE) {
-      Compute *compute = modify->compute[modify->find_compute(ids[i])];
+      int c_id = modify->find_compute(ids[i]);
+      if (c_id < 0) error->all(FLERR,"Fix ave/histo input is invalid compute");
+      Compute *compute = modify->compute[c_id];
       if (compute->scalar_flag || compute->vector_flag || compute->array_flag)
         kindflag = GLOBAL;
       else if (compute->peratom_flag) kindflag = PERATOM;
       else if (compute->local_flag) kindflag = LOCAL;
       else error->all(FLERR,"Fix ave/histo input is invalid compute");
     } else if (which[i] == FIX) {
-      Fix *fix = modify->fix[modify->find_fix(ids[i])];
+      int f_id = modify->find_fix(ids[i]);
+      if (f_id < 0) error->all(FLERR,"Fix ave/histo input is invalid fix");
+      Fix *fix = modify->fix[f_id];
       if (fix->scalar_flag || fix->vector_flag || fix->array_flag)
         kindflag = GLOBAL;
       else if (fix->peratom_flag) kindflag = PERATOM;
@@ -220,6 +224,7 @@
       else error->all(FLERR,"Fix ave/histo input is invalid fix");
     } else if (which[i] == VARIABLE) {
       int ivariable = input->variable->find(ids[i]);
+      if (ivariable < 0) error->all(FLERR,"Fix ave/histo input is invalid variable");
       if (input->variable->equalstyle(ivariable)) kindflag = GLOBAL;
       else if (input->variable->atomstyle(ivariable)) kindflag = PERATOM;
       else error->all(FLERR,"Fix ave/histo input is invalid variable");
diff -Naur lammps-31Mar17/src/integrate.h lammps-11Apr17/src/integrate.h
--- lammps-31Mar17/src/integrate.h	2016-07-12 16:36:08.000000000 -0600
+++ lammps-11Apr17/src/integrate.h	2017-04-11 08:19:45.963752000 -0600
@@ -23,7 +23,7 @@
   Integrate(class LAMMPS *, int, char **);
   virtual ~Integrate();
   virtual void init();
-  virtual void setup() = 0;
+  virtual void setup(int flag=1) = 0;
   virtual void setup_minimal(int) = 0;
   virtual void run(int) = 0;
   virtual void cleanup() {}
diff -Naur lammps-31Mar17/src/min.cpp lammps-11Apr17/src/min.cpp
--- lammps-31Mar17/src/min.cpp	2017-01-05 13:10:41.000000000 -0700
+++ lammps-11Apr17/src/min.cpp	2017-04-11 08:19:45.963752000 -0600
@@ -180,13 +180,15 @@
    setup before run
 ------------------------------------------------------------------------- */
 
-void Min::setup()
+void Min::setup(int flag)
 {
   if (comm->me == 0 && screen) {
     fprintf(screen,"Setting up %s style minimization ...\n",
             update->minimize_style);
-    fprintf(screen,"  Unit style    : %s\n", update->unit_style);
-    timer->print_timeout(screen);
+    if (flag) {
+      fprintf(screen,"  Unit style    : %s\n", update->unit_style);
+      timer->print_timeout(screen);
+    }
   }
   update->setupflag = 1;
 
@@ -294,7 +296,7 @@
       requestor[m]->min_xf_get(m);
 
   modify->setup(vflag);
-  output->setup();
+  output->setup(flag);
   update->setupflag = 0;
 
   // stats for initial thermo output
diff -Naur lammps-31Mar17/src/min.h lammps-11Apr17/src/min.h
--- lammps-31Mar17/src/min.h	2016-06-17 17:48:15.000000000 -0600
+++ lammps-11Apr17/src/min.h	2017-04-11 08:19:45.963752000 -0600
@@ -31,7 +31,7 @@
   Min(class LAMMPS *);
   virtual ~Min();
   virtual void init();
-  void setup();
+  void setup(int flag=1);
   void setup_minimal(int);
   void run(int);
   void cleanup();
diff -Naur lammps-31Mar17/src/output.cpp lammps-11Apr17/src/output.cpp
--- lammps-31Mar17/src/output.cpp	2017-03-17 11:19:47.000000000 -0600
+++ lammps-11Apr17/src/output.cpp	2017-04-06 09:03:07.099182000 -0600
@@ -653,6 +653,21 @@
 }
 
 /* ----------------------------------------------------------------------
+   find a dump by ID
+   return index of dump or -1 if not found
+------------------------------------------------------------------------- */
+
+int Output::find_dump(const char *id)
+{
+  if (id == NULL) return -1;
+  int idump;
+  for (idump = 0; idump < ndump; idump++)
+    if (strcmp(id,dump[idump]->id) == 0) break;
+  if (idump == ndump) return -1;
+  return idump;
+}
+
+/* ----------------------------------------------------------------------
    set thermo output frequency from input script
 ------------------------------------------------------------------------- */
 
diff -Naur lammps-31Mar17/src/output.h lammps-11Apr17/src/output.h
--- lammps-31Mar17/src/output.h	2017-03-07 09:48:20.000000000 -0700
+++ lammps-11Apr17/src/output.h	2017-04-06 09:03:07.099182000 -0600
@@ -76,6 +76,7 @@
   void add_dump(int, char **);       // add a Dump to Dump list
   void modify_dump(int, char **);    // modify a Dump
   void delete_dump(char *);          // delete a Dump from Dump list
+  int find_dump(const char *);       // find a Dump ID
 
   void set_thermo(int, char **);     // set thermo output freqquency
   void create_thermo(int, char **);  // create a thermo style
diff -Naur lammps-31Mar17/src/respa.cpp lammps-11Apr17/src/respa.cpp
--- lammps-31Mar17/src/respa.cpp	2017-01-05 15:08:14.000000000 -0700
+++ lammps-11Apr17/src/respa.cpp	2017-04-11 08:19:45.963752000 -0600
@@ -398,24 +398,27 @@
    setup before run
 ------------------------------------------------------------------------- */
 
-void Respa::setup()
+void Respa::setup(int flag)
 {
   if (comm->me == 0 && screen) {
     fprintf(screen,"Setting up r-RESPA run ...\n");
-    fprintf(screen,"  Unit style    : %s\n", update->unit_style);
-    fprintf(screen,"  Current step  : " BIGINT_FORMAT "\n", update->ntimestep);
-    fprintf(screen,"  Time steps    :");
-    for (int ilevel=0; ilevel < nlevels; ++ilevel)
-      fprintf(screen," %d:%g",ilevel+1, step[ilevel]);
-    fprintf(screen,"\n  r-RESPA fixes :");
-    for (int l=0; l < modify->n_post_force_respa; ++l) {
-      Fix *f = modify->fix[modify->list_post_force_respa[l]];
-      if (f->respa_level >= 0)
-        fprintf(screen," %d:%s[%s]",
-                MIN(f->respa_level+1,nlevels),f->style,f->id);
+    if (flag) {
+      fprintf(screen,"  Unit style    : %s\n", update->unit_style);
+      fprintf(screen,"  Current step  : " BIGINT_FORMAT "\n",
+              update->ntimestep);
+      fprintf(screen,"  Time steps    :");
+      for (int ilevel=0; ilevel < nlevels; ++ilevel)
+        fprintf(screen," %d:%g",ilevel+1, step[ilevel]);
+      fprintf(screen,"\n  r-RESPA fixes :");
+      for (int l=0; l < modify->n_post_force_respa; ++l) {
+        Fix *f = modify->fix[modify->list_post_force_respa[l]];
+        if (f->respa_level >= 0)
+          fprintf(screen," %d:%s[%s]",
+                  MIN(f->respa_level+1,nlevels),f->style,f->id);
+      }
+      fprintf(screen,"\n");
+      timer->print_timeout(screen);
     }
-    fprintf(screen,"\n");
-    timer->print_timeout(screen);
   }
 
   update->setupflag = 1;
@@ -482,7 +485,7 @@
 
   sum_flevel_f();
   modify->setup(vflag);
-  output->setup();
+  output->setup(flag);
   update->setupflag = 0;
 }
 
diff -Naur lammps-31Mar17/src/respa.h lammps-11Apr17/src/respa.h
--- lammps-31Mar17/src/respa.h	2016-02-08 09:18:20.000000000 -0700
+++ lammps-11Apr17/src/respa.h	2017-04-11 08:19:45.963752000 -0600
@@ -48,7 +48,7 @@
   Respa(class LAMMPS *, int, char **);
   virtual ~Respa();
   virtual void init();
-  virtual void setup();
+  virtual void setup(int flag=1);
   virtual void setup_minimal(int);
   virtual void run(int);
   virtual void cleanup();
diff -Naur lammps-31Mar17/src/verlet.cpp lammps-11Apr17/src/verlet.cpp
--- lammps-31Mar17/src/verlet.cpp	2017-01-05 13:08:12.000000000 -0700
+++ lammps-11Apr17/src/verlet.cpp	2017-04-11 08:19:45.963752000 -0600
@@ -85,14 +85,17 @@
    setup before run
 ------------------------------------------------------------------------- */
 
-void Verlet::setup()
+void Verlet::setup(int flag)
 {
   if (comm->me == 0 && screen) {
     fprintf(screen,"Setting up Verlet run ...\n");
-    fprintf(screen,"  Unit style    : %s\n", update->unit_style);
-    fprintf(screen,"  Current step  : " BIGINT_FORMAT "\n", update->ntimestep);
-    fprintf(screen,"  Time step     : %g\n", update->dt);
-    timer->print_timeout(screen);
+    if (flag) {
+      fprintf(screen,"  Unit style    : %s\n", update->unit_style);
+      fprintf(screen,"  Current step  : " BIGINT_FORMAT "\n",
+              update->ntimestep);
+      fprintf(screen,"  Time step     : %g\n", update->dt);
+      timer->print_timeout(screen);
+    }
   }
 
   if (lmp->kokkos)
@@ -148,7 +151,7 @@
   if (force->newton) comm->reverse_comm();
 
   modify->setup(vflag);
-  output->setup();
+  output->setup(flag);
   update->setupflag = 0;
 }
 
diff -Naur lammps-31Mar17/src/verlet.h lammps-11Apr17/src/verlet.h
--- lammps-31Mar17/src/verlet.h	2016-10-26 10:46:30.000000000 -0600
+++ lammps-11Apr17/src/verlet.h	2017-04-11 08:19:45.963752000 -0600
@@ -29,7 +29,7 @@
   Verlet(class LAMMPS *, int, char **);
   virtual ~Verlet() {}
   virtual void init();
-  virtual void setup();
+  virtual void setup(int flag=1);
   virtual void setup_minimal(int);
   virtual void run(int);
   void cleanup();
diff -Naur lammps-31Mar17/src/version.h lammps-11Apr17/src/version.h
--- lammps-31Mar17/src/version.h	2017-03-30 09:51:55.000000000 -0600
+++ lammps-11Apr17/src/version.h	2017-04-11 08:59:36.518762000 -0600
@@ -1 +1 @@
-#define LAMMPS_VERSION "31 Mar 2017"
+#define LAMMPS_VERSION "11 Apr 2017"
diff -Naur lammps-31Mar17/src/write_restart.cpp lammps-11Apr17/src/write_restart.cpp
--- lammps-31Mar17/src/write_restart.cpp	2017-04-11 08:59:44.643103032 -0600
+++ lammps-11Apr17/src/write_restart.cpp	2017-04-11 09:00:21.658201596 -0600
@@ -297,6 +297,9 @@
 
   // communication buffer for my atom info
   // max_size = largest buffer needed by any proc
+  // NOTE: are assuming size_restart() returns 32-bit int
+  //   for a huge one-proc problem, nlocal could be 32-bit
+  //   but nlocal * doubles-peratom could oveflow
 
   int max_size;
   int send_size = atom->avec->size_restart();