Loading doc/src/Section_commands.txt +1 −1 Original line number Diff line number Diff line Loading @@ -581,7 +581,7 @@ USER-INTEL, k = KOKKOS, o = USER-OMP, t = OPT. "indent"_fix_indent.html, "langevin (k)"_fix_langevin.html, "lineforce"_fix_lineforce.html, "momentum"_fix_momentum.html, "momentum (k)"_fix_momentum.html, "move"_fix_move.html, "msst"_fix_msst.html, "neb"_fix_neb.html, Loading doc/src/fix_momentum.txt +24 −0 Original line number Diff line number Diff line Loading @@ -7,6 +7,7 @@ :line fix momentum command :h3 fix momentum/kk command :h3 [Syntax:] Loading Loading @@ -55,6 +56,29 @@ of atoms by rescaling the velocities after the momentum was removed. Note that the "velocity"_velocity.html command can be used to create initial velocities with zero aggregate linear and/or angular momentum. :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 in "Section 5"_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 GPU, USER-INTEL, KOKKOS, 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 5"_Section_accelerate.html of the manual for more instructions on how to use the accelerated styles effectively. [Restart, fix_modify, output, run start/stop, minimize info:] No information about this fix is written to "binary restart Loading doc/src/lammps.book +1 −0 Original line number Diff line number Diff line Loading @@ -214,6 +214,7 @@ fix_nve_manifold_rattle.html fix_nve_noforce.html fix_nve_sphere.html fix_nve_tri.html fix_nvk.html fix_nvt_asphere.html fix_nvt_body.html fix_nvt_manifold_rattle.html Loading src/KSPACE/pppm.cpp 100644 → 100755 +0 −0 File mode changed from 100644 to 100755. View file src/KSPACE/pppm_tip4p.cpp 100644 → 100755 +0 −0 File mode changed from 100644 to 100755. View file Loading
doc/src/Section_commands.txt +1 −1 Original line number Diff line number Diff line Loading @@ -581,7 +581,7 @@ USER-INTEL, k = KOKKOS, o = USER-OMP, t = OPT. "indent"_fix_indent.html, "langevin (k)"_fix_langevin.html, "lineforce"_fix_lineforce.html, "momentum"_fix_momentum.html, "momentum (k)"_fix_momentum.html, "move"_fix_move.html, "msst"_fix_msst.html, "neb"_fix_neb.html, Loading
doc/src/fix_momentum.txt +24 −0 Original line number Diff line number Diff line Loading @@ -7,6 +7,7 @@ :line fix momentum command :h3 fix momentum/kk command :h3 [Syntax:] Loading Loading @@ -55,6 +56,29 @@ of atoms by rescaling the velocities after the momentum was removed. Note that the "velocity"_velocity.html command can be used to create initial velocities with zero aggregate linear and/or angular momentum. :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 in "Section 5"_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 GPU, USER-INTEL, KOKKOS, 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 5"_Section_accelerate.html of the manual for more instructions on how to use the accelerated styles effectively. [Restart, fix_modify, output, run start/stop, minimize info:] No information about this fix is written to "binary restart Loading
doc/src/lammps.book +1 −0 Original line number Diff line number Diff line Loading @@ -214,6 +214,7 @@ fix_nve_manifold_rattle.html fix_nve_noforce.html fix_nve_sphere.html fix_nve_tri.html fix_nvk.html fix_nvt_asphere.html fix_nvt_body.html fix_nvt_manifold_rattle.html Loading
