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<div class="section" id="fix-reax-bonds-command">
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<span id="index-0"></span><h1>fix reax/bonds command</h1>
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</div>
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<div class="section" id="fix-reax-c-bonds-command">
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<h1>fix reax/c/bonds command</h1>
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<div class="section" id="syntax">
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<h2>Syntax</h2>
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<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>
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</pre></div>
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</div>
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<ul class="simple">
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<li>ID, group-ID are documented in <a class="reference internal" href="fix.html"><span class="doc">fix</span></a> command</li>
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<li>reax/bonds = style name of this fix command</li>
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<li>Nevery = output interval in timesteps</li>
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<li>filename = name of output file</li>
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</ul>
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</div>
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<div class="section" id="examples">
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<h2>Examples</h2>
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<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>
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<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>
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</pre></div>
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</div>
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</div>
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<div class="section" id="description">
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<h2>Description</h2>
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<p>Write out the bond information computed by the ReaxFF potential
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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
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stand-alone ReaxFF code of Adri van Duin. The bond information is
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written to <em>filename</em> on timesteps that are multiples of <em>Nevery</em>,
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including timestep 0. For time-averaged chemical species analysis,
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please see the <span class="xref doc">fix species</span> command.</p>
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<p>The format of the output file should be self-explantory.</p>
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</div>
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<hr class="docutils" />
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<div class="section" id="restart-fix-modify-output-run-start-stop-minimize-info">
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<h2>Restart, fix_modify, output, run start/stop, minimize info</h2>
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<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
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are relevant to this fix. No global or per-atom quantities are stored
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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
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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.
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This fix is not invoked during <a class="reference internal" href="minimize.html"><span class="doc">energy minimization</span></a>.</p>
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</div>
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<div class="section" id="restrictions">
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<h2>Restrictions</h2>
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<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
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package. It is only enabled if LAMMPS was built with that package,
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which also requires the REAX library be built and linked with LAMMPS.
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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
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USER-REAXC package. It is only enabled if LAMMPS was built with that
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package. See the <a class="reference internal" href="Section_start.html#start-3"><span class="std std-ref">Making LAMMPS</span></a> section
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for more info.</p>
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</div>
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<div class="section" id="related-commands">
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<h2>Related commands</h2>
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<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>
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<p><strong>Default:</strong> none</p>
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