lammps/doc/fix_nve_eff.txt

"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/eff command :h3

[Syntax:]

fix ID group-ID nve/eff :pre

ID, group-ID are documented in "fix"_fix.html command
nve/eff = style name of this fix command :ul

[Examples:]

fix 1 all nve/eff :pre

[Description:]

Perform constant NVE integration to update position and velocity for
nuclei and electrons in the group for the "electron force
field"_pair_eff.html model.  V is volume; E is energy.  This creates a
system trajectory consistent with the microcanonical ensemble.

The operation of this fix is exactly like that described by the "fix
nve"_fix_nve.html command, except that the radius and radial velocity
of electrons are also updated.

[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#4_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 "user-eff" package.  It is only enabled if
LAMMPS was built with that package.  See the "Making
LAMMPS"_Section_start.html#2_3 section for more info.

[Related commands:]

"fix nve"_fix_nve.html, "fix nvt/eff"_fix_nh_eff.html, "fix
npt/eff"_fix_nh_eff.html

[Default:] none