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/dihedral_fourier.txt b/doc/dihedral_fourier.txt index c55d512374..8d404fbe93 100644 --- a/doc/dihedral_fourier.txt +++ b/doc/dihedral_fourier.txt @@ -16,7 +16,7 @@ dihedral_style fourier :pre [Examples:] dihedral_style fourier -dihedral_coeff 3 -0.846200 3 0.0 7.578800 1 0 0.138000 2 -180.0 :pre +dihedral_coeff 1 3 -0.846200 3 0.0 7.578800 1 0 0.138000 2 -180.0 :pre [Description:] 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_list.txt b/doc/pair_list.txt
index fd1f884c9d..fac4e41a15 100644
--- a/doc/pair_list.txt
+++ b/doc/pair_list.txt
@@ -44,8 +44,8 @@ The format of the list file is as follows:
one line per pair of atoms :ulb,l
empty lines will be ignored :l
-comment text starts with a '#' character
-line syntax: ID1 ID2 style coeffs cutoff :l
+comment text starts with a '#' character :l
+line syntax: {ID1 ID2 style coeffs cutoff} :l
ID1 = atom ID of first atom
ID2 = atom ID of second atom
style = style of interaction
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
diff --git a/doc/pair_nb3b_harmonic.txt b/doc/pair_nb3b_harmonic.txt
index ba6775c477..0a5aa90a4d 100644
--- a/doc/pair_nb3b_harmonic.txt
+++ b/doc/pair_nb3b_harmonic.txt
@@ -7,6 +7,7 @@
:line
pair_style nb3b/harmonic command :h3
+pair_style nb3b/harmonic/omp command :h3
[Syntax:]
@@ -86,6 +87,28 @@ simulation; LAMMPS ignores those entries.
:line
+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"_Section_accelerate.html 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_start.html#start_3
+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"_Section_start.html#start_7 when you invoke LAMMPS, or you can
+use the "suffix"_suffix.html command in your input script.
+
+See "Section_accelerate"_Section_accelerate.html of the manual for
+more instructions on how to use the accelerated styles effectively.
+
+:line
+
[Restrictions:]
This pair style can only be used if LAMMPS was built with the