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<div class="section" id="fix-reax-bonds-command">
<span id="index-0"></span><h1>fix reax/bonds command</h1>
</div>
<div class="section" id="fix-reax-c-bonds-command">
<h1>fix reax/c/bonds command</h1>
<div class="section" id="syntax">
<h2>Syntax</h2>
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="n">ID</span> <span class="n">group</span><span class="o">-</span><span class="n">ID</span> <span class="n">reax</span><span class="o">/</span><span class="n">bonds</span> <span class="n">Nevery</span> <span class="n">filename</span>
</pre></div>
</div>
<ul class="simple">
<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
<li>reax/bonds = style name of this fix command</li>
<li>Nevery = output interval in timesteps</li>
<li>filename = name of output file</li>
</ul>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix</span> <span class="mi">1</span> <span class="nb">all</span> <span class="n">reax</span><span class="o">/</span><span class="n">bonds</span> <span class="mi">100</span> <span class="n">bonds</span><span class="o">.</span><span class="n">tatb</span>
<span class="n">fix</span> <span class="mi">1</span> <span class="nb">all</span> <span class="n">reax</span><span class="o">/</span><span class="n">c</span><span class="o">/</span><span class="n">bonds</span> <span class="mi">100</span> <span class="n">bonds</span><span class="o">.</span><span class="n">reaxc</span>
</pre></div>
</div>
</div>
<div class="section" id="description">
<h2>Description</h2>
<p>Write out the bond information computed by the ReaxFF potential
specified by <a class="reference internal" href="pair_reax.html"><span class="doc">pair_style reax</span></a> or <a class="reference internal" href="pair_reax_c.html"><span class="doc">pair_style reax/c</span></a> in the exact same format as the original
stand-alone ReaxFF code of Adri van Duin. The bond information is
written to <em>filename</em> on timesteps that are multiples of <em>Nevery</em>,
including timestep 0. For time-averaged chemical species analysis,
please see the <span class="xref doc">fix species</span> command.</p>
<p>The format of the output file should be self-explantory.</p>
</div>
<hr class="docutils" />
<div class="section" id="restart-fix-modify-output-run-start-stop-minimize-info">
<h2>Restart, fix_modify, output, run start/stop, minimize info</h2>
<p>No information about this fix is written to <a class="reference internal" href="restart.html"><span class="doc">binary restart files</span></a>. None of the <a class="reference internal" href="fix_modify.html"><span class="doc">fix_modify</span></a> options
are relevant to this fix. No global or per-atom quantities are stored
by this fix for access by various <a class="reference internal" href="Section_howto.html#howto-15"><span class="std std-ref">output commands</span></a>. No parameter of this fix can
be used with the <em>start/stop</em> keywords of the <a class="reference internal" href="run.html"><span class="doc">run</span></a> command.
This fix is not invoked during <a class="reference internal" href="minimize.html"><span class="doc">energy minimization</span></a>.</p>
</div>
<div class="section" id="restrictions">
<h2>Restrictions</h2>
<p>The fix reax/bonds command requires that the <a class="reference internal" href="pair_reax.html"><span class="doc">pair_style reax</span></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.
The fix reax/c/bonds command requires that the <a class="reference internal" href="pair_reax_c.html"><span class="doc">pair_style reax/c</span></a> be invoked. This fix is part of the
USER-REAXC package. It is only enabled if LAMMPS was built with that
package. See the <a class="reference internal" href="Section_start.html#start-3"><span class="std std-ref">Making LAMMPS</span></a> section
for more info.</p>
</div>
<div class="section" id="related-commands">
<h2>Related commands</h2>
<p><a class="reference internal" href="pair_reax.html"><span class="doc">pair_style reax</span></a>, <a class="reference internal" href="pair_reax_c.html"><span class="doc">pair_style reax/c</span></a>, <a class="reference internal" href="fix_reaxc_species.html"><span class="doc">fix reax/c/species</span></a></p>
<p><strong>Default:</strong> none</p>
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