Homec4science
Diffusion lammps (master) Browse

lammps/doc/fix_reax_bonds.html
a8cf1de735d0master

Last Change
Raw File

fix_reax_bonds.html
View Options

<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 reax/bonds command
</H3>
<P><B>Syntax:</B>
</P>
<PRE>fix ID group-ID reax/bonds Nevery filename
</PRE>
<UL><LI>ID, group-ID are documented in <A HREF = "fix.html">fix</A> command
<LI>reax/bonds = style name of this fix command
<LI>Nevery = output interval in timesteps
<LI>filename = name of output file
</UL>
<P><B>Examples:</B>
</P>
<P>fix 1 all reax/bonds 100 bonds.tatb
</P>
<P><B>Description:</B>
</P>
<P>Write out the bond information computed by the ReaxFF potential
specified by <A HREF = "pair_reax.html">pair_style reax</A>. The bond information
is written to <I>filename</I> on timesteps that are multiples of <I>Nevery</I>,
including timestep 0.
</P>
<P>The format of the output file should be self-explantory.
</P>
<HR>
<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 requires that the <A HREF = "pair_reax.html">pair_style reax</A> be
invoked. This fix is part of the "reax" package. It is only enabled
if LAMMPS was built with that package, which also requires the REAX
library be built and linked with LAMMPS. 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 = "pair_reax.html">pair_style reax</A>
</P>
<P><B>Default:</B>
</P>
<P>none
</P>
</HTML>
c4science · Help