Merge pull request #641 from lammps/doc-tweak

small update to docs for new commands
This commit is contained in:
Steve Plimpton 2017-09-06 08:52:51 -06:00 committed by GitHub
commit c80203cb01
4 changed files with 95 additions and 92 deletions

View File

@ -756,6 +756,7 @@ package"_Section_accelerate.html. This is indicated by additional
letters in parenthesis: g = GPU, i = USER-INTEL, k =
KOKKOS, o = USER-OMP, t = OPT.
"aggregate/atom"_compute_cluster_atom.html,
"angle"_compute_angle.html,
"angle/local"_compute_angle_local.html,
"angmom/chunk"_compute_angmom_chunk.html,

View File

@ -169,6 +169,7 @@ by users which are included in the LAMMPS distribution. The list of
these with links to the individual styles are given in the compute
section of "this page"_Section_commands.html#cmd_5.
"aggregate/atom"_compute_cluster_atom.html - aggregate ID for each atom
"angle/local"_compute_bond_local.html - theta and energy of each angle
"angmom/chunk"_compute_angmom_chunk.html - angular momentum for each chunk
"body/local"_compute_body_local.html - attributes of body sub-particles
@ -191,6 +192,7 @@ section of "this page"_Section_commands.html#cmd_5.
"erotate/sphere"_compute_erotate_sphere.html - rotational energy of spherical particles
"erotate/sphere/atom"_compute_erotate_sphere.html - rotational energy for each spherical particle
"event/displace"_compute_event_displace.html - detect event on atom displacement
"fragment/atom"_compute_cluster_atom.html - fragment ID for each atom
"group/group"_compute_group_group.html - energy/force between two groups of atoms
"gyration"_compute_gyration.html - radius of gyration of group of atoms
"gyration/chunk"_compute_gyration_chunk.html - radius of gyration for each chunk

View File

@ -37,8 +37,8 @@ keyword = {file} or {ave} or {start} or {file} or {overwrite}:l
compute 1 all saed 0.0251 Al O Kmax 1.70 Zone 0 0 1 dR_Ewald 0.01 c 0.5 0.5 0.5
compute 2 all saed 0.0251 Ni Kmax 1.70 Zone 0 0 0 c 0.05 0.05 0.05 manual echo :pre
fix saed/vtk 1 1 1 c_1 file Al2O3_001.saed
fix saed/vtk 1 1 1 c_2 file Ni_000.saed :pre
fix 1 all saed/vtk 1 1 1 c_1 file Al2O3_001.saed
fix 2 all saed/vtk 1 1 1 c_2 file Ni_000.saed :pre
[Description:]