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man_thermal_time_integration.html

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<title>ATC: fix_modify AtC time_integration (thermal)</title>
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<h1><a class="anchor" id="man_thermal_time_integration">fix_modify AtC time_integration (thermal) </a></h1><h2><a class="anchor" id="syntax">
syntax</a></h2>
<p>fix_modify AtC time_integration &lt;descriptor&gt; <br/>
</p>
<ul>
<li>descriptor (string) = time integration type <br/>
</li>
</ul>
<p>various time integration methods for the finite elements<br/>
</p>
<h2><a class="anchor" id="description">
description</a></h2>
<p>gear - atomic velocity update with 2nd order Verlet, nodal temperature update with 3rd or 4th order Gear, thermostats based on controlling power <br/>
fractional_step - atomic velocity update with 2nd order Verlet, mixed nodal temperature update, 3/4 Gear for continuum and 2 Verlet for atomic contributions, thermostats based on controlling discrete energy changes<br/>
</p>
<h2><a class="anchor" id="examples">
examples</a></h2>
<p><code> fix_modify atc time_integration gear </code> <br/>
<code> fix_modify atc time_integration fractional_step </code> <br/>
</p>
<h2><a class="anchor" id="description">
description</a></h2>
<h2><a class="anchor" id="related">
related</a></h2>
<p>see <a class="el" href="man_fix_atc.html">fix atc command</a> </p>
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default</a></h2>
<p>none </p>
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