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write_coeff.html

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<div class="section" id="write-coeff-command">
<span id="index-0"></span><h1>write_coeff command</h1>
<div class="section" id="syntax">
<h2>Syntax</h2>
<pre class="literal-block">
write_coeff file
</pre>
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">file</span> <span class="o">=</span> <span class="n">name</span> <span class="n">of</span> <span class="n">data</span> <span class="n">file</span> <span class="n">to</span> <span class="n">write</span> <span class="n">out</span>
</pre></div>
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<div class="section" id="examples">
<h2>Examples</h2>
<pre class="literal-block">
write_coeff polymer.coeff
</pre>
</div>
<div class="section" id="description">
<h2>Description</h2>
<p>Write a text format file with the currently defined force field
coefficients in a way, that it can be read by LAMMPS with the
<a class="reference internal" href="include.html"><span class="doc">include</span></a> command. In combination with the nocoeff
option of <a class="reference internal" href="write_data.html"><span class="doc">write_data</span></a> this can be used to move
the Coeffs sections from a data file into a separate file.</p>
<div class="admonition note">
<p class="first admonition-title">Note</p>
<p class="last">The write_coeff command is not yet fully implemented in two
respects. First, some pair styles do not yet write their coefficient
information into the coeff file. This means you will need to specify
that information in your input script that reads the data file, via
the <a class="reference internal" href="pair_coeff.html"><span class="doc">pair_coeff</span></a> command.</p>
</div>
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<h2>Restrictions</h2>
<p>none</p>
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<h2>Related commands</h2>
<p><a class="reference internal" href="read_data.html"><span class="doc">read_data</span></a>, <a class="reference internal" href="write_restart.html"><span class="doc">write_restart</span></a>,
<a class="reference internal" href="write_data.html"><span class="doc">write_data</span></a></p>
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