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<div class="section" id="fix-reax-bonds-command">
<span id="index-0"></span><h1>fix reax/bonds command<a class="headerlink" href="#fix-reax-bonds-command" title="Permalink to this headline">¶</a></h1>
</div>
<div class="section" id="fix-reax-c-bonds-command">
<h1>fix reax/c/bonds command<a class="headerlink" href="#fix-reax-c-bonds-command" title="Permalink to this headline">¶</a></h1>
<div class="section" id="syntax">
<h2>Syntax<a class="headerlink" href="#syntax" title="Permalink to this headline">¶</a></h2>
<div class="highlight-python"><div class="highlight"><pre>fix ID group-ID reax/bonds Nevery filename
</pre></div>
</div>
<ul class="simple">
<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><em>fix</em></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<a class="headerlink" href="#examples" title="Permalink to this headline">¶</a></h2>
<div class="highlight-python"><div class="highlight"><pre>fix 1 all reax/bonds 100 bonds.tatb
fix 1 all reax/c/bonds 100 bonds.reaxc
</pre></div>
</div>
</div>
<div class="section" id="description">
<h2>Description<a class="headerlink" href="#description" title="Permalink to this headline">¶</a></h2>
<p>Write out the bond information computed by the ReaxFF potential
specified by <a class="reference internal" href="pair_reax.html"><em>pair_style reax</em></a> or <a class="reference internal" href="pair_reax_c.html"><em>pair_style reax/c</em></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 <code class="xref doc docutils literal"><span class="pre">fix</span> <span class="pre">species</span></code> 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<a class="headerlink" href="#restart-fix-modify-output-run-start-stop-minimize-info" title="Permalink to this headline">¶</a></h2>
<p>No information about this fix is written to <a class="reference internal" href="restart.html"><em>binary restart files</em></a>. None of the <a class="reference internal" href="fix_modify.html"><em>fix_modify</em></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>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"><em>run</em></a> command.
This fix is not invoked during <a class="reference internal" href="minimize.html"><em>energy minimization</em></a>.</p>
</div>
<div class="section" id="restrictions">
<h2>Restrictions<a class="headerlink" href="#restrictions" title="Permalink to this headline">¶</a></h2>
<p>The fix reax/bonds command requires that the <a class="reference internal" href="pair_reax.html"><em>pair_style reax</em></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"><em>pair_style reax/c</em></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>Making LAMMPS</span></a> section
for more info.</p>
</div>
<div class="section" id="related-commands">
<h2>Related commands<a class="headerlink" href="#related-commands" title="Permalink to this headline">¶</a></h2>
<p><a class="reference internal" href="pair_reax.html"><em>pair_style reax</em></a>, <a class="reference internal" href="pair_reax_c.html"><em>pair_style reax/c</em></a>, <a class="reference internal" href="fix_reaxc_species.html"><em>fix reax/c/species</em></a></p>
<p><strong>Default:</strong> none</p>
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