diff --git a/doc/src/min_style.txt b/doc/src/min_style.txt index c46c1492b4..e27682cf97 100644 --- a/doc/src/min_style.txt +++ b/doc/src/min_style.txt @@ -11,7 +11,7 @@ min_style command :h3 min_style style :pre -style = {cg} or {hftn} or {sd} or {quickmin} or {fire} or {spin} :ul +style = {cg} or {cg/kk} or {hftn} or {sd} or {quickmin} or {fire} or {spin} :ul [Examples:] @@ -74,9 +74,34 @@ defined via the "timestep"_timestep.html command. Often they will converge more quickly if you use a timestep about 10x larger than you would normally use for dynamics simulations. -NOTE: The {quickmin}, {fire}, and {hftn} styles do not yet support the -use of the "fix box/relax"_fix_box_relax.html command or minimizations -involving the electron radius in "eFF"_pair_eff.html models. +NOTE: The {quickmin}, {fire}, {hftn}, and {cg/kk} styles do not yet +support the use of the "fix box/relax"_fix_box_relax.html command or +minimizations involving the electron radius in "eFF"_pair_eff.html +models. + +:line + +Styles with a {gpu}, {intel}, {kk}, {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 on the "Speed packages"_Speed_packages.html doc +page. 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 GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Build +package"_Build_package.html doc page 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"_Run_options.html when you invoke LAMMPS, or you can use the +"suffix"_suffix.html command in your input script. + +See the "Speed packages"_Speed_packages.html doc page for more +instructions on how to use the accelerated styles effectively. + +:line [Restrictions:] none diff --git a/doc/src/minimize.txt b/doc/src/minimize.txt index ecf1ad0fcf..42315705e5 100644 --- a/doc/src/minimize.txt +++ b/doc/src/minimize.txt @@ -7,6 +7,7 @@ :line minimize command :h3 +minimize/kk command :h3 [Syntax:] @@ -256,6 +257,28 @@ info in the Restrictions section below. :line +Styles with a {gpu}, {intel}, {kk}, {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 on the "Speed packages"_Speed_packages.html doc +page. 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 GPU, USER-INTEL, KOKKOS, +USER-OMP and OPT packages, respectively. They are only enabled if +LAMMPS was built with those packages. See the "Build +package"_Build_package.html doc page 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"_Run_options.html when you invoke LAMMPS, or you can use the +"suffix"_suffix.html command in your input script. + +See the "Speed packages"_Speed_packages.html doc page for more +instructions on how to use the accelerated styles effectively. + +:line + [Restrictions:] Features that are not yet implemented are listed here, in case someone