"LAMMPS WWW Site"_lws - "LAMMPS Documentation"_ld - "LAMMPS Commands"_lc :c

:link(lws,http://lammps.sandia.gov)
:link(ld,Manual.html)
:link(lc,Commands_all.html)

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fix nve/awpmd command :h3

[Syntax:]

fix ID group-ID nve/awpmd :pre

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

[Examples:]

fix 1 all nve/awpmd :pre

[Description:]

Perform constant NVE integration to update position and velocity for
nuclei and electrons in the group for the "Antisymmetrized Wave Packet
Molecular Dynamics"_pair_awpmd.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 width and width-velocity of
the electron wave functions are also updated.

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[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"_Howto_output.html.
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-AWPMD package.  It is only enabled if
LAMMPS was built with that package.  See the "Build
package"_Build_package.html doc page for more info.

[Related commands:]

"fix nve"_fix_nve.html

[Default:] none
