Examples:
dihedral_style fourier -dihedral_coeff 3 -0.846200 3 0.0 7.578800 1 0 0.138000 2 -180.0 +dihedral_coeff 1 3 -0.846200 3 0.0 7.578800 1 0 0.138000 2 -180.0
Description:
diff --git a/doc/pair_coeff.html b/doc/pair_coeff.html index 167dde226e..bdfe907ad4 100644 --- a/doc/pair_coeff.html +++ b/doc/pair_coeff.html @@ -96,10 +96,17 @@ directory specified by the LAMMPS_POTENTIALS environment variable. Thus if this is set to the potentials directory in the LAMMPS distro, then you can use those files from anywhere on your system, without copying them into your working directory. Environment variables are -set in different ways for different shells. For example, in tcsh, you -could type the following or put it in your .cshrc file: +set in different ways for different shells. Here are example settings +for -% setenv LAMMPS_POTENTIALS /home/users/plimpton/lammps/potentials +csh, tcsh: +% setenv LAMMPS_POTENTIALS /path/to/lammps/potentials ++bash: +% export LAMMPS_POTENTIALS=/path/to/lammps/potentials ++Windows: +% set LAMMPS_POTENTIALS="C:\Path to LAMMPS\Potentials
diff --git a/doc/pair_coeff.txt b/doc/pair_coeff.txt index f9a95b143b..ae9eb7d5b2 100644 --- a/doc/pair_coeff.txt +++ b/doc/pair_coeff.txt @@ -93,10 +93,17 @@ directory specified by the LAMMPS_POTENTIALS environment variable. Thus if this is set to the potentials directory in the LAMMPS distro, then you can use those files from anywhere on your system, without copying them into your working directory. Environment variables are -set in different ways for different shells. For example, in tcsh, you -could type the following or put it in your .cshrc file: +set in different ways for different shells. Here are example settings +for -% setenv LAMMPS_POTENTIALS /home/users/plimpton/lammps/potentials :pre +csh, tcsh: +% setenv LAMMPS_POTENTIALS /path/to/lammps/potentials :pre + +bash: +% export LAMMPS_POTENTIALS=/path/to/lammps/potentials :pre + +Windows: +% set LAMMPS_POTENTIALS="C:\Path to LAMMPS\Potentials :pre :line diff --git a/doc/pair_list.html b/doc/pair_list.html index 94170784c5..b0981813f3 100644 --- a/doc/pair_list.html +++ b/doc/pair_list.html @@ -50,7 +50,8 @@ Morse and a harmonic potential.
ID1 = atom ID of first atom ID2 = atom ID of second atom diff --git a/doc/pair_nb3b_harmonic.html b/doc/pair_nb3b_harmonic.html index 20de4e60d5..f5aafffcaf 100644 --- a/doc/pair_nb3b_harmonic.html +++ b/doc/pair_nb3b_harmonic.html @@ -11,6 +11,8 @@pair_style nb3b/harmonic command
+pair_style nb3b/harmonic/omp command +
Syntax:
pair_style nb3b/harmonic @@ -89,6 +91,28 @@ simulation; LAMMPS ignores those entries.
+Styles with a cuda, gpu, omp, or opt suffix are functionally +the same as the corresponding style without the suffix. They have +been optimized to run faster, depending on your available hardware, as +discussed in Section_accelerate of the +manual. The accelerated styles take the same arguments and should +produce the same results, except for round-off and precision issues. +
+These accelerated styles are part of the USER-CUDA, GPU, USER-OMP and OPT +packages, respectively. They are only enabled if LAMMPS was built with +those packages. See the Making LAMMPS +section for more info. +
+You can specify the accelerated styles explicitly in your input script +by including their suffix, or you can use the -suffix command-line +switch when you invoke LAMMPS, or you can +use the suffix command in your input script. +
+See Section_accelerate of the manual for +more instructions on how to use the accelerated styles effectively. +
+
+Restrictions:
This pair style can only be used if LAMMPS was built with the