forked from lijiext/lammps
234 lines
7.8 KiB
HTML
234 lines
7.8 KiB
HTML
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<ul>
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<li class="toctree-l1"><a class="reference internal" href="Section_intro.html">1. Introduction</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Section_start.html">2. Getting Started</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Section_commands.html">3. Commands</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Section_accelerate.html">5. Accelerating LAMMPS performance</a></li>
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<li class="toctree-l1"><a class="reference internal" href="Section_howto.html">6. How-to discussions</a></li>
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<li><a href="Manual.html">Docs</a> »</li>
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<li>write_coeff command</li>
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<a href="http://lammps.sandia.gov">Website</a>
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<a href="Section_commands.html#comm">Commands</a>
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<div class="section" id="write-coeff-command">
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<span id="index-0"></span><h1>write_coeff 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">write_coeff</span> <span class="n">file</span>
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</pre></div>
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</div>
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<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>
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</pre></div>
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</div>
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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">write_coeff</span> <span class="n">polymer</span><span class="o">.</span><span class="n">coeff</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 a text format file with the currently defined force field
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coefficients in a way, that it can be read by LAMMPS with the
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<a class="reference internal" href="include.html"><span class="doc">include</span></a> command. In combination with the nocoeff
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option of <a class="reference internal" href="write_data.html"><span class="doc">write_data</span></a> this can be used to move
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the Coeffs sections from a data file into a separate file.</p>
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<div class="admonition note">
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<p class="first admonition-title">Note</p>
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<p class="last">The write_coeff command is not yet fully implemented in two
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respects. First, some pair styles do not yet write their coefficient
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information into the coeff file. This means you will need to specify
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that information in your input script that reads the data file, via
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the <a class="reference internal" href="pair_coeff.html"><span class="doc">pair_coeff</span></a> command.</p>
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</div>
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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>none</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="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>,
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<a class="reference internal" href="write_data.html"><span class="doc">write_data</span></a></p>
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© Copyright 2013 Sandia Corporation.
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