Homec4science
Diffusion lammps (efficient_neuronet) Browse

lammps/doc/src/fix_nve_body.txt
3759b7e2ddc5efficient_neuronet

Last Change
Raw File

fix_nve_body.txt
View Options

"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c
:link(lws,http://lammps.sandia.gov)
:link(ld,Manual.html)
:link(lc,Section_commands.html#comm)
:line
fix nve/body command :h3
[Syntax:]
fix ID group-ID nve/body :pre
ID, group-ID are documented in "fix"_fix.html command
nve/body = style name of this fix command :ul
[Examples:]
fix 1 all nve/body :pre
[Description:]
Perform constant NVE integration to update position, velocity,
orientation, and angular velocity for body particles in the group each
timestep. V is volume; E is energy. This creates a system trajectory
consistent with the microcanonical ensemble. See "Section_howto
14"_Section_howto.html#howto_14 of the manual and the "body"_body.html
doc page for more details on using body particles.
This fix differs from the "fix nve"_fix_nve.html command, which
assumes point particles and only updates their position and velocity.
[Restart, fix_modify, output, run start/stop, minimize info:]
No information about this fix is written to "binary restart
files"_restart.html. None of the "fix_modify"_fix_modify.html options
are relevant to this fix. No global or per-atom quantities are stored
by this fix for access by various "output
commands"_Section_howto.html#howto_15. No parameter of this fix can
be used with the {start/stop} keywords of the "run"_run.html command.
This fix is not invoked during "energy minimization"_minimize.html.
[Restrictions:]
This fix is part of the BODY package. It is only enabled if LAMMPS
was built with that package. See the "Making
LAMMPS"_Section_start.html#start_3 section for more info.
This fix requires that atoms store torque and angular momementum and a
quaternion as defined by the "atom_style body"_atom_style.html
command.
All particles in the group must be body particles. They cannot be
point particles.
[Related commands:]
"fix nve"_fix_nve.html, "fix nve/sphere"_fix_nve_sphere.html, "fix
nve/asphere"_fix_nve_asphere.html
[Default:] none
c4science · Help