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fix_nve_eff.html
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Sat, Dec 28, 10:35
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rLAMMPS lammps
fix_nve_eff.html
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<HTML>
<CENTER><A
HREF =
"http://lammps.sandia.gov"
>
LAMMPS WWW Site
</A>
-
<A
HREF =
"Manual.html"
>
LAMMPS Documentation
</A>
-
<A
HREF =
"Section_commands.html#comm"
>
LAMMPS Commands
</A>
</CENTER>
<HR>
<H3>
fix nve/eff command
</H3>
<P><B>
Syntax:
</B>
</P>
<PRE>
fix ID group-ID nve/eff
</PRE>
<UL><LI>
ID, group-ID are documented in
<A
HREF =
"fix.html"
>
fix
</A>
command
<LI>
nve/eff = style name of this fix command
</UL>
<P><B>
Examples:
</B>
</P>
<PRE>
fix 1 all nve/eff
</PRE>
<P><B>
Description:
</B>
</P>
<P>
Perform constant NVE integration to update position and velocity for
nuclei and electrons in the group for the
<A
HREF =
"pair_eff.html"
>
electron force
field
</A>
model. V is volume; E is energy. This creates a
system trajectory consistent with the microcanonical ensemble.
</P>
<P>
The operation of this fix is exactly like that described by the
<A
HREF =
"fix_nve.html"
>
fix
nve
</A>
command, except that the radius and radial velocity
of electrons are also updated.
</P>
<P><B>
Restart, fix_modify, output, run start/stop, minimize info:
</B>
</P>
<P>
No information about this fix is written to
<A
HREF =
"restart.html"
>
binary restart
files
</A>
. None of the
<A
HREF =
"fix_modify.html"
>
fix_modify
</A>
options
are relevant to this fix. No global or per-atom quantities are stored
by this fix for access by various
<A
HREF =
"Section_howto.html#howto_15"
>
output
commands
</A>
. No parameter of this fix can
be used with the
<I>
start/stop
</I>
keywords of the
<A
HREF =
"run.html"
>
run
</A>
command.
This fix is not invoked during
<A
HREF =
"minimize.html"
>
energy minimization
</A>
.
</P>
<P><B>
Restrictions:
</B>
</P>
<P>
This fix is part of the USER-EFF package. It is only enabled if
LAMMPS was built with that package. See the
<A
HREF =
"Section_start.html#start_3"
>
Making
LAMMPS
</A>
section for more info.
</P>
<P><B>
Related commands:
</B>
</P>
<P><A
HREF =
"fix_nve.html"
>
fix nve
</A>
,
<A
HREF =
"fix_nh_eff.html"
>
fix nvt/eff
</A>
,
<A
HREF =
"fix_nh_eff.html"
>
fix
npt/eff
</A>
</P>
<P><B>
Default:
</B>
none
</P>
</HTML>
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