Loading doc/src/Commands_bond.txt +1 −1 Original line number Diff line number Diff line Loading @@ -70,7 +70,7 @@ OPT. "fourier/simple (o)"_angle_fourier_simple.html, "harmonic (iko)"_angle_harmonic.html, "quartic (o)"_angle_quartic.html, "sdk"_angle_sdk.html, "sdk (o)"_angle_sdk.html, "table (o)"_angle_table.html :tb(c=4,ea=c) :line Loading doc/src/Commands_fix.txt +1 −1 Original line number Diff line number Diff line Loading @@ -216,7 +216,7 @@ OPT. "wall/body/polyhedron"_fix_wall_body_polyhedron.html, "wall/colloid"_fix_wall.html, "wall/ees"_fix_wall_ees.html, "wall/gran"_fix_wall_gran.html, "wall/gran (o)"_fix_wall_gran.html, "wall/gran/region"_fix_wall_gran_region.html, "wall/harmonic"_fix_wall.html, "wall/lj1043"_fix_wall.html, Loading doc/src/Commands_pair.txt +1 −1 Original line number Diff line number Diff line Loading @@ -26,7 +26,7 @@ OPT. "none"_pair_none.html, "zero"_pair_zero.html, "hybrid"_pair_hybrid.html, "hybrid (k)"_pair_hybrid.html, "hybrid/overlay (k)"_pair_hybrid.html :tb(c=4,ea=c) "adp (o)"_pair_adp.html, Loading doc/src/angle_sdk.txt +25 −0 Original line number Diff line number Diff line Loading @@ -7,6 +7,7 @@ :line angle_style sdk command :h3 angle_style sdk/omp command :h3 [Syntax:] Loading Loading @@ -43,6 +44,30 @@ internally; hence the units of K are in energy/radian^2. The also required {lj/sdk} parameters will be extracted automatically from the pair_style. :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:] This angle style can only be used if LAMMPS was built with the Loading doc/src/fix_property_atom.txt +24 −0 Original line number Diff line number Diff line Loading @@ -7,6 +7,7 @@ :line fix property/atom command :h3 fix property/atom/kk command :h3 [Syntax:] Loading Loading @@ -201,6 +202,7 @@ added classes. :line :link(isotopes) Example for using per-atom masses with TIP4P water to study isotope effects. When setting up simulations with the "TIP4P pair styles"_Howto_tip4p.html for water, you have to provide exactly Loading Loading @@ -238,6 +240,28 @@ set group hwat mass 2.0141018 :pre :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 [Restart, fix_modify, output, run start/stop, minimize info:] This fix writes the per-atom values it stores to "binary restart Loading Loading
doc/src/Commands_bond.txt +1 −1 Original line number Diff line number Diff line Loading @@ -70,7 +70,7 @@ OPT. "fourier/simple (o)"_angle_fourier_simple.html, "harmonic (iko)"_angle_harmonic.html, "quartic (o)"_angle_quartic.html, "sdk"_angle_sdk.html, "sdk (o)"_angle_sdk.html, "table (o)"_angle_table.html :tb(c=4,ea=c) :line Loading
doc/src/Commands_fix.txt +1 −1 Original line number Diff line number Diff line Loading @@ -216,7 +216,7 @@ OPT. "wall/body/polyhedron"_fix_wall_body_polyhedron.html, "wall/colloid"_fix_wall.html, "wall/ees"_fix_wall_ees.html, "wall/gran"_fix_wall_gran.html, "wall/gran (o)"_fix_wall_gran.html, "wall/gran/region"_fix_wall_gran_region.html, "wall/harmonic"_fix_wall.html, "wall/lj1043"_fix_wall.html, Loading
doc/src/Commands_pair.txt +1 −1 Original line number Diff line number Diff line Loading @@ -26,7 +26,7 @@ OPT. "none"_pair_none.html, "zero"_pair_zero.html, "hybrid"_pair_hybrid.html, "hybrid (k)"_pair_hybrid.html, "hybrid/overlay (k)"_pair_hybrid.html :tb(c=4,ea=c) "adp (o)"_pair_adp.html, Loading
doc/src/angle_sdk.txt +25 −0 Original line number Diff line number Diff line Loading @@ -7,6 +7,7 @@ :line angle_style sdk command :h3 angle_style sdk/omp command :h3 [Syntax:] Loading Loading @@ -43,6 +44,30 @@ internally; hence the units of K are in energy/radian^2. The also required {lj/sdk} parameters will be extracted automatically from the pair_style. :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:] This angle style can only be used if LAMMPS was built with the Loading
doc/src/fix_property_atom.txt +24 −0 Original line number Diff line number Diff line Loading @@ -7,6 +7,7 @@ :line fix property/atom command :h3 fix property/atom/kk command :h3 [Syntax:] Loading Loading @@ -201,6 +202,7 @@ added classes. :line :link(isotopes) Example for using per-atom masses with TIP4P water to study isotope effects. When setting up simulations with the "TIP4P pair styles"_Howto_tip4p.html for water, you have to provide exactly Loading Loading @@ -238,6 +240,28 @@ set group hwat mass 2.0141018 :pre :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 [Restart, fix_modify, output, run start/stop, minimize info:] This fix writes the per-atom values it stores to "binary restart Loading
