forked from lijiext/lammps
61 lines
2.0 KiB
HTML
61 lines
2.0 KiB
HTML
|
<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/line command
|
||
|
|
</H3>
|
||
|
|
<P><B>Syntax:</B>
|
||
|
|
</P>
|
||
|
|
<PRE>fix ID group-ID nve/line
|
||
|
|
</PRE>
|
||
|
|
<UL><LI>ID, group-ID are documented in <A HREF = "fix.html">fix</A> command
|
||
|
|
<LI>nve/line = style name of this fix command
|
||
|
|
</UL>
|
||
|
|
<P><B>Examples:</B>
|
||
|
|
</P>
|
||
|
|
<PRE>fix 1 all nve/line
|
||
|
|
</PRE>
|
||
|
|
<P><B>Description:</B>
|
||
|
|
</P>
|
||
|
|
<P>Perform constant NVE integration to update position, velocity,
|
||
|
|
orientation, and angular velocity for line segment particles in the
|
||
|
|
group each timestep. V is volume; E is energy. This creates a system
|
||
|
|
trajectory consistent with the microcanonical ensemble.
|
||
|
|
</P>
|
||
|
|
<P>This fix differs from the <A HREF = "fix_nve.html">fix nve</A> command, which
|
||
|
|
assumes point particles and only updates their position and velocity.
|
||
|
|
</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 ASPHERE 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>This fix requires that particles be line segments as defined by the
|
||
|
|
<A HREF = "atom_style.html">atom_style line</A> command.
|
||
|
|
</P>
|
||
|
|
<P><B>Related commands:</B>
|
||
|
|
</P>
|
||
|
|
<P><A HREF = "fix_nve.html">fix nve</A>, <A HREF = "fix_nve_asphere.html">fix nve/asphere</A>
|
||
|
|
</P>
|
||
|
|
<P><B>Default:</B> none
|
||
|
|
</P>
|
||
|
|
</HTML>
|