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<div class="section" id="fix-drude-command">
<span id="index-0"></span><h1>fix drude 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">drude</span> <span class="n">flag1</span> <span class="n">flag2</span> <span class="o">...</span> <span class="n">flagN</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>drude = style name of this fix command</li>
<li>flag1 flag2 ... flagN = Drude flag for each atom type (1 to N) in the system</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">drude</span> <span class="mi">1</span> <span class="mi">1</span> <span class="mi">0</span> <span class="mi">1</span> <span class="mi">0</span> <span class="mi">2</span> <span class="mi">2</span> <span class="mi">2</span>
<span class="n">fix</span> <span class="mi">1</span> <span class="nb">all</span> <span class="n">drude</span> <span class="n">C</span> <span class="n">C</span> <span class="n">N</span> <span class="n">C</span> <span class="n">N</span> <span class="n">D</span> <span class="n">D</span> <span class="n">D</span>
</pre></div>
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</div>
<div class="section" id="description">
<h2>Description</h2>
<p>Assign each atom type in the system to be one of 3 kinds of atoms
within the Drude polarization model. This fix is designed to be
used with the <a class="reference internal" href="tutorial_drude.html"><span class="doc">thermalized Drude oscillator model</span></a>. Polarizable models in LAMMPS
are described in <a class="reference internal" href="Section_howto.html#howto-25"><span class="std std-ref">this Section</span></a>.</p>
<p>The three possible types can be designated with an integer (0,1,2)
or capital letter (N,C,D):</p>
<ul class="simple">
<li>0 or N = non-polarizable atom (not part of Drude model)</li>
<li>1 or C = Drude core</li>
<li>2 or D = Drude electron</li>
</ul>
</div>
<div class="section" id="restrictions">
<h2>Restrictions</h2>
<p>This fix should be invoked before any other commands that implement
the Drude oscillator model, such as <a class="reference internal" href="fix_langevin_drude.html"><span class="doc">fix langevin/drude</span></a>, <a class="reference internal" href="fix_drude_transform.html"><span class="doc">fix drude/transform</span></a>, <a class="reference internal" href="compute_temp_drude.html"><span class="doc">compute temp/drude</span></a>, <a class="reference internal" href="pair_thole.html"><span class="doc">pair_style thole</span></a>.</p>
</div>
<div class="section" id="related-commands">
<h2>Related commands</h2>
<p><a class="reference internal" href="fix_langevin_drude.html"><span class="doc">fix langevin/drude</span></a>, <a class="reference internal" href="fix_drude_transform.html"><span class="doc">fix drude/transform</span></a>, <a class="reference internal" href="compute_temp_drude.html"><span class="doc">compute temp/drude</span></a>, <a class="reference internal" href="pair_thole.html"><span class="doc">pair_style thole</span></a></p>
<p><strong>Default:</strong> None</p>
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