Loading doc/src/min_style.txt +29 −4 Original line number Diff line number Diff line Loading @@ -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:] Loading Loading @@ -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 Loading doc/src/minimize.txt +23 −0 Original line number Diff line number Diff line Loading @@ -7,6 +7,7 @@ :line minimize command :h3 minimize/kk command :h3 [Syntax:] Loading Loading @@ -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 Loading Loading
doc/src/min_style.txt +29 −4 Original line number Diff line number Diff line Loading @@ -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:] Loading Loading @@ -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 Loading
doc/src/minimize.txt +23 −0 Original line number Diff line number Diff line Loading @@ -7,6 +7,7 @@ :line minimize command :h3 minimize/kk command :h3 [Syntax:] Loading Loading @@ -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 Loading
