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<div class="section" id="compute-improper-command">
<span id="index-0"></span><h1>compute improper command<a class="headerlink" href="#compute-improper-command" title="Permalink to this headline">¶</a></h1>
<div class="section" id="syntax">
<h2>Syntax<a class="headerlink" href="#syntax" title="Permalink to this headline">¶</a></h2>
<div class="highlight-python"><div class="highlight"><pre>compute ID group-ID improper
</pre></div>
</div>
<ul class="simple">
<li>ID, group-ID are documented in <a class="reference internal" href="compute.html"><em>compute</em></a> command</li>
<li>improper = style name of this compute command</li>
</ul>
</div>
<div class="section" id="examples">
<h2>Examples<a class="headerlink" href="#examples" title="Permalink to this headline">¶</a></h2>
<div class="highlight-python"><div class="highlight"><pre>compute 1 all improper
</pre></div>
</div>
</div>
<div class="section" id="description">
<h2>Description<a class="headerlink" href="#description" title="Permalink to this headline">¶</a></h2>
<p>Define a computation that extracts the improper energy calculated by
each of the improper sub-styles used in the <a class="reference internal" href="improper_hybrid.html"><em>improper_style hybrid</em></a> command. These values are made
accessible for output or further processing by other commands. The
group specified for this command is ignored.</p>
<p>This compute is useful when using <a class="reference internal" href="improper_hybrid.html"><em>improper_style hybrid</em></a> if you want to know the portion of the
total energy contributed by one or more of the hybrid sub-styles.</p>
<p><strong>Output info:</strong></p>
<p>This compute calculates a global vector of length N where N is the
number of sub_styles defined by the <a class="reference internal" href="improper_style.html"><em>improper_style hybrid</em></a> command. which can be accessed by indices
1-N. These values can be used by any command that uses global scalar
or vector values from a compute as input. See <a class="reference internal" href="Section_howto.html#howto-15"><span>this section</span></a> for an overview of LAMMPS output
options.</p>
<p>The vector values are &#8220;extensive&#8221; and will be in energy
<a class="reference internal" href="units.html"><em>units</em></a>.</p>
</div>
<div class="section" id="restrictions">
<h2>Restrictions<a class="headerlink" href="#restrictions" title="Permalink to this headline">¶</a></h2>
<blockquote>
<div>none</div></blockquote>
</div>
<div class="section" id="related-commands">
<h2>Related commands<a class="headerlink" href="#related-commands" title="Permalink to this headline">¶</a></h2>
<p><a class="reference internal" href="compute_pe.html"><em>compute pe</em></a>, <a class="reference internal" href="compute_pair.html"><em>compute pair</em></a></p>
<p><strong>Default:</strong> none</p>
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