Syntax:
pair_style style args-
nm args = cutoff
+ nm/cut args = cutoff
cutoff = global cutoff for Pair interactions (distance units)
nm/cut/coul/cut args = cutoff (cutoff2)
cutoff = global cutoff for Pair (and Coulombic if only 1 arg) (distance units)
@@ -36,7 +42,7 @@
Examples:
-pair_style nm 12.0 +pair_style nm/cut 12.0 pair_coeff * * 0.01 5.4 8.0 7.0 pair_coeff 1 1 0.01 4.4 7.0 6.0@@ -133,6 +139,28 @@ to be specified in an input script that reads a restart file. the run_style respa command. They do not support the inner, middle, outer keywords. +
+ +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:
These pair styles are part of the MISC package. It is only enabled if diff --git a/doc/pair_nm.txt b/doc/pair_nm.txt index e63f875b88..e127e11c68 100644 --- a/doc/pair_nm.txt +++ b/doc/pair_nm.txt @@ -6,17 +6,20 @@ :line -pair_style nm command :h3 +pair_style nm/cut command :h3 pair_style nm/cut/coul/cut command :h3 pair_style nm/cut/coul/long command :h3 +pair_style nm/cut/omp command :h3 +pair_style nm/cut/coul/cut/omp command :h3 +pair_style nm/cut/coul/long/omp command :h3 [Syntax:] pair_style style args :pre -style = {nm} or {nm/cut/coul/cut} or {nm/cut/coul/long} :ulb,l +style = {nm/cut} or {nm/cut/coul/cut} or {nm/cut/coul/long} :ulb,l args = list of arguments for a particular style :l - {nm} args = cutoff + {nm/cut} args = cutoff cutoff = global cutoff for Pair interactions (distance units) {nm/cut/coul/cut} args = cutoff (cutoff2) cutoff = global cutoff for Pair (and Coulombic if only 1 arg) (distance units) @@ -28,7 +31,7 @@ args = list of arguments for a particular style :l [Examples:] -pair_style nm 12.0 +pair_style nm/cut 12.0 pair_coeff * * 0.01 5.4 8.0 7.0 pair_coeff 1 1 0.01 4.4 7.0 6.0 :pre @@ -125,6 +128,28 @@ All of the {nm} pair styles can only be used via the {pair} keyword of the "run_style respa"_run_style.html command. They do not support the {inner}, {middle}, {outer} keywords. +: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. + [Restrictions:] These pair styles are part of the MISC package. It is only enabled if diff --git a/doc/pair_tersoff_mod.html b/doc/pair_tersoff_mod.html index 9923fb9a65..427af65913 100644 --- a/doc/pair_tersoff_mod.html +++ b/doc/pair_tersoff_mod.html @@ -11,6 +11,8 @@
pair_style tersoff/mod command
+pair_style tersoff/mod/omp command +
Syntax:
pair_style tersoff/mod @@ -114,6 +116,28 @@ for SiSiSi means Si bonded to a Si with another Si atom influencing the bond.
+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. +
+
+Mixing, shift, table, tail correction, restart, rRESPA info:
This pair style does not support the pair_modify diff --git a/doc/pair_tersoff_mod.txt b/doc/pair_tersoff_mod.txt index b4b678a539..1b3bcd51d2 100644 --- a/doc/pair_tersoff_mod.txt +++ b/doc/pair_tersoff_mod.txt @@ -7,6 +7,7 @@ :line pair_style tersoff/mod command :h3 +pair_style tersoff/mod/omp command :h3 [Syntax:] @@ -111,6 +112,28 @@ for SiSiSi means Si bonded to a Si with another Si atom influencing the bond. :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 + [Mixing, shift, table, tail correction, restart, rRESPA info]: This pair style does not support the "pair_modify"_pair_modify.html diff --git a/doc/pair_zbl.html b/doc/pair_zbl.html index 0199ccb549..34635cb89c 100644 --- a/doc/pair_zbl.html +++ b/doc/pair_zbl.html @@ -11,6 +11,8 @@
pair_style zbl command
+pair_style zbl/omp command +
Syntax:
pair_style zbl inner outer @@ -66,6 +68,28 @@ always be given in units of electron charge.
+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. +
+
+Mixing, shift, table, tail correction, restart, rRESPA info:
Mixing is not relevant for this pair style, since as explained above, diff --git a/doc/pair_zbl.txt b/doc/pair_zbl.txt index 34a949a834..b9c74a492b 100644 --- a/doc/pair_zbl.txt +++ b/doc/pair_zbl.txt @@ -7,6 +7,7 @@ :line pair_style zbl command :h3 +pair_style zbl/omp command :h3 [Syntax:] @@ -63,6 +64,28 @@ always be given in units of electron charge. :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 + [Mixing, shift, table, tail correction, restart, rRESPA info]: Mixing is not relevant for this pair style, since as explained above,