diff -Naur lammps-13Nov09/doc/fix_wiggle.html lammps-14Nov09/doc/fix_wiggle.html --- lammps-13Nov09/doc/fix_wiggle.html 2008-12-02 13:50:15.000000000 -0700 +++ lammps-14Nov09/doc/fix_wiggle.html 2009-11-10 16:20:05.000000000 -0700 @@ -13,8 +13,8 @@
Syntax:
-fix ID group-ID wiggle dim amplitude period -
+fix ID group-ID wiggle dim amplitude period +
pair_style sw pair_coeff * * si.sw Si -pair_coeff * * SiC.sw Si C Si +pair_coeff * * GaN.sw Ga N Ga
Description:
@@ -41,7 +41,7 @@As an example, imagine the SiC.sw file has Stillinger-Weber values for +
As an example, imagine a file SiC.sw has Stillinger-Weber values for Si and C. If your LAMMPS simulation has 4 atoms types and you want the 1st 3 to be Si, and the 4th to be C, you would use the following pair_coeff command: diff -Naur lammps-13Nov09/doc/pair_sw.txt lammps-14Nov09/doc/pair_sw.txt --- lammps-13Nov09/doc/pair_sw.txt 2009-08-10 14:13:44.000000000 -0600 +++ lammps-14Nov09/doc/pair_sw.txt 2009-11-11 08:18:47.000000000 -0700 @@ -16,7 +16,7 @@ pair_style sw pair_coeff * * si.sw Si -pair_coeff * * SiC.sw Si C Si :pre +pair_coeff * * GaN.sw Ga N Ga :pre [Description:] @@ -38,7 +38,7 @@ filename N element names = mapping of SW elements to atom types :ul -As an example, imagine the SiC.sw file has Stillinger-Weber values for +As an example, imagine a file SiC.sw has Stillinger-Weber values for Si and C. If your LAMMPS simulation has 4 atoms types and you want the 1st 3 to be Si, and the 4th to be C, you would use the following pair_coeff command: diff -Naur lammps-13Nov09/src/atom_vec_hybrid.cpp lammps-14Nov09/src/atom_vec_hybrid.cpp --- lammps-13Nov09/src/atom_vec_hybrid.cpp 2009-11-09 11:20:20.000000000 -0700 +++ lammps-14Nov09/src/atom_vec_hybrid.cpp 2009-11-12 10:03:16.000000000 -0700 @@ -57,6 +57,9 @@ // hybrid settings are MAX or MIN of sub-style settings // hybrid sizes are minimial values plus extra values for each sub-style + molecular = 0; + comm_x_only = comm_f_only = 1; + size_forward = 3; size_reverse = 3; size_border = 6;