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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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