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lammps/doc/src/fix_nve_eff.txt
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fix_nve_eff.txt
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"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#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 USER-EFF 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.
[Related commands:]
"fix nve"_fix_nve.html, "fix nvt/eff"_fix_nh_eff.html, "fix
npt/eff"_fix_nh_eff.html
[Default:] none
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