diff --git a/doc/src/Section_commands.txt b/doc/src/Section_commands.txt index 51c199f272..e1cef1b94c 100644 --- a/doc/src/Section_commands.txt +++ b/doc/src/Section_commands.txt @@ -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, diff --git a/doc/src/fix_momentum.txt b/doc/src/fix_momentum.txt index 52b99aaa0d..4f94e2a857 100644 --- a/doc/src/fix_momentum.txt +++ b/doc/src/fix_momentum.txt @@ -7,6 +7,7 @@ :line fix momentum command :h3 +fix momentum/kk command :h3 [Syntax:] @@ -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 diff --git a/doc/src/lammps.book b/doc/src/lammps.book index ec689adf15..5f8af357b7 100644 --- a/doc/src/lammps.book +++ b/doc/src/lammps.book @@ -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 diff --git a/src/KSPACE/pppm.cpp b/src/KSPACE/pppm.cpp old mode 100644 new mode 100755 diff --git a/src/KSPACE/pppm_tip4p.cpp b/src/KSPACE/pppm_tip4p.cpp old mode 100644 new mode 100755 diff --git a/src/KSPACE/pppm_tip4p.h b/src/KSPACE/pppm_tip4p.h old mode 100644 new mode 100755