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<li class="toctree-l1"><a class="reference internal" href="Section_tools.html">9. Additional tools</a></li>
<li class="toctree-l1"><a class="reference internal" href="Section_modify.html">10. Modifying &amp; extending LAMMPS</a></li>
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<li>fix_modify command</li>
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<div class="section" id="fix-modify-command">
<span id="index-0"></span><h1>fix_modify command</h1>
<div class="section" id="syntax">
<h2>Syntax</h2>
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix_modify</span> <span class="n">fix</span><span class="o">-</span><span class="n">ID</span> <span class="n">keyword</span> <span class="n">value</span> <span class="o">...</span>
</pre></div>
</div>
<ul class="simple">
<li>fix-ID = ID of the fix to modify</li>
<li>one or more keyword/value pairs may be appended</li>
<li>keyword = <em>temp</em> or <em>press</em> or <em>energy</em></li>
</ul>
<pre class="literal-block">
<em>temp</em> value = compute ID that calculates a temperature
<em>press</em> value = compute ID that calculates a pressure
<em>energy</em> value = <em>yes</em> or <em>no</em>
</pre>
</div>
<div class="section" id="examples">
<h2>Examples</h2>
<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">fix_modify</span> <span class="mi">3</span> <span class="n">temp</span> <span class="n">myTemp</span> <span class="n">press</span> <span class="n">myPress</span>
<span class="n">fix_modify</span> <span class="mi">1</span> <span class="n">energy</span> <span class="n">yes</span>
</pre></div>
</div>
</div>
<div class="section" id="description">
<h2>Description</h2>
<p>Modify one or more parameters of a previously defined fix. Only
specific fix styles support specific parameters. See the doc pages
for individual fix commands for info on which ones support which
fix_modify parameters.</p>
<p>The <em>temp</em> keyword is used to determine how a fix computes
temperature. The specified compute ID must have been previously
defined by the user via the <a class="reference internal" href="compute.html"><span class="doc">compute</span></a> command and it must
be a style of compute that calculates a temperature. All fixes that
compute temperatures define their own compute by default, as described
in their documentation. Thus this option allows the user to override
the default method for computing T.</p>
<p>The <em>press</em> keyword is used to determine how a fix computes pressure.
The specified compute ID must have been previously defined by the user
via the <a class="reference internal" href="compute.html"><span class="doc">compute</span></a> command and it must be a style of
compute that calculates a pressure. All fixes that compute pressures
define their own compute by default, as described in their
documentation. Thus this option allows the user to override the
default method for computing P.</p>
<p>For fixes that calculate a contribution to the potential energy of the
system, the <em>energy</em> keyword will include that contribution in
thermodynamic output of potential energy. See the
<a class="reference internal" href="thermo_style.html"><span class="doc">thermo_style</span></a> command for info on how potential
energy is output. The contribution by itself can be printed by using
the keyword f_ID in the thermo_style custom command, where ID is the
fix-ID of the appropriate fix. Note that you must use this setting
for a fix if you are using it when performing an <a class="reference internal" href="minimize.html"><span class="doc">energy minimization</span></a> and if you want the energy and forces it
produces to be part of the optimization criteria.</p>
</div>
<div class="section" id="restrictions">
<h2>Restrictions</h2>
<blockquote>
<div>none</div></blockquote>
</div>
<div class="section" id="related-commands">
<h2>Related commands</h2>
<p><a class="reference internal" href="fix.html"><span class="doc">fix</span></a>, <a class="reference internal" href="compute_temp.html"><span class="doc">compute temp</span></a>, <a class="reference internal" href="compute_pressure.html"><span class="doc">compute pressure</span></a>, <a class="reference internal" href="thermo_style.html"><span class="doc">thermo_style</span></a></p>
</div>
<div class="section" id="default">
<h2>Default</h2>
<p>The option defaults are temp = ID defined by fix, press = ID defined
by fix, energy = no.</p>
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