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Plimpton
2021-01-26 11:02:27 -07:00
parent 78b46e819b
commit 80bac27184
3 changed files with 10 additions and 3 deletions
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3
doc/src/fix_flow_gauss.rst
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@ -165,7 +165,8 @@ LAMMPS was built with that package. See the :doc:`Build package
Related commands
""""""""""""""""
:doc:`fix addforce <fix_addforce>`, :doc:`compute temp/profile <compute_temp_profile>`, :doc:`velocity <velocity>`
:doc:`fix addforce <fix_addforce>`, :doc:`compute temp/profile
<compute_temp_profile>`, :doc:`velocity <velocity>`
Default
"""""""

8
doc/src/fix_rigid.rst
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@ -799,6 +799,14 @@ accessed by various :doc:`output commands <Howto_output>`. The scalar
is the same cumulative energy change due to these fixes described
above. The scalar value calculated by this fix is "extensive".
The :doc:`fix_modify <fix_modify>` *virial* option is supported by
these fixes to add the contribution due to the added forces on atoms
to both the global pressure and per-atom stress of the system via the
:doc:`compute pressure <compute_pressure>` and :doc:`compute
stress/atom <compute_stress_atom>` commands. The former can be
accessed by :doc:`thermodynamic output <thermo_style>`. The default
setting for this fix is :doc:`fix_modify virial yes <fix_modify>`.
All of the *rigid* styles (not the *rigid/small* styles) compute a
global array of values which can be accessed by various :doc:`output
commands <Howto_output>`. Similar information about the bodies

2
src/USER-MISC/fix_wall_ees.cpp
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@ -84,14 +84,12 @@ void FixWallEES::wall_particle(int m, int which, double coord)
double **f = atom->f;
double **tor = atom->torque;
avec = (AtomVecEllipsoid *) atom->style_match("ellipsoid");
AtomVecEllipsoid::Bonus *bonus = avec->bonus;
int *ellipsoid = atom->ellipsoid;
int *mask = atom->mask;
int nlocal = atom->nlocal;
int dim = which / 2;
int side = which % 2;
if (side == 0) side = -1;