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<div class="section" id="improper-style-command">
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<span id="index-0"></span><h1>improper_style command<a class="headerlink" href="#improper-style-command" title="Permalink to this headline">¶</a></h1>
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<div class="section" id="syntax">
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<h2>Syntax<a class="headerlink" href="#syntax" title="Permalink to this headline">¶</a></h2>
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<div class="highlight-python"><div class="highlight"><pre>improper_style style
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</pre></div>
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</div>
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<ul class="simple">
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<li>style = <em>none</em> or <em>hybrid</em> or <em>class2</em> or <em>cvff</em> or <em>harmonic</em></li>
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</ul>
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</div>
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<div class="section" id="examples">
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<h2>Examples<a class="headerlink" href="#examples" title="Permalink to this headline">¶</a></h2>
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<div class="highlight-python"><div class="highlight"><pre>improper_style harmonic
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improper_style cvff
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improper_style hybrid cvff harmonic
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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<a class="headerlink" href="#description" title="Permalink to this headline">¶</a></h2>
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<p>Set the formula(s) LAMMPS uses to compute improper interactions
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between quadruplets of atoms, which remain in force for the duration
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of the simulation. The list of improper quadruplets is read in by a
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<a class="reference internal" href="read_data.html"><em>read_data</em></a> or <a class="reference internal" href="read_restart.html"><em>read_restart</em></a> command
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from a data or restart file. Note that the ordering of the 4 atoms in
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an improper quadruplet determines the the definition of the improper
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angle used in the formula for each style. See the doc pages of
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individual styles for details.</p>
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<p>Hybrid models where impropers are computed using different improper
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potentials can be setup using the <em>hybrid</em> improper style.</p>
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<p>The coefficients associated with an improper style can be specified in
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a data or restart file or via the <a class="reference internal" href="improper_coeff.html"><em>improper_coeff</em></a>
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command.</p>
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<p>All improper potentials store their coefficient data in binary restart
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files which means improper_style and
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<a class="reference internal" href="improper_coeff.html"><em>improper_coeff</em></a> commands do not need to be
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re-specified in an input script that restarts a simulation. See the
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<a class="reference internal" href="read_restart.html"><em>read_restart</em></a> command for details on how to do
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this. The one exception is that improper_style <em>hybrid</em> only stores
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the list of sub-styles in the restart file; improper coefficients need
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to be re-specified.</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">When both an improper and pair style is defined, the
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<a class="reference internal" href="special_bonds.html"><em>special_bonds</em></a> command often needs to be used to
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turn off (or weight) the pairwise interaction that would otherwise
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exist between a group of 4 bonded atoms.</p>
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</div>
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<hr class="docutils" />
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<p>Here is an alphabetic list of improper styles defined in LAMMPS.
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Click on the style to display the formula it computes and coefficients
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specified by the associated <a class="reference internal" href="improper_coeff.html"><em>improper_coeff</em></a>
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command.</p>
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<p>Note that there are also additional improper styles submitted by users
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which are included in the LAMMPS distribution. The list of these with
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links to the individual styles are given in the improper section of
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<a class="reference internal" href="Section_commands.html#cmd-5"><span>this page</span></a>.</p>
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<ul class="simple">
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<li><a class="reference internal" href="improper_none.html"><em>improper_style none</em></a> - turn off improper interactions</li>
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<li><a class="reference internal" href="improper_zero.html"><em>improper_style zero</em></a> - topology but no interactions</li>
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<li><a class="reference internal" href="improper_hybrid.html"><em>improper_style hybrid</em></a> - define multiple styles of improper interactions</li>
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<li><a class="reference internal" href="improper_class2.html"><em>improper_style class2</em></a> - COMPASS (class 2) improper</li>
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<li><a class="reference internal" href="improper_cvff.html"><em>improper_style cvff</em></a> - CVFF improper</li>
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<li><a class="reference internal" href="improper_harmonic.html"><em>improper_style harmonic</em></a> - harmonic improper</li>
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<li><a class="reference internal" href="improper_umbrella.html"><em>improper_style umbrella</em></a> - DREIDING improper</li>
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</ul>
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</div>
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<hr class="docutils" />
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<div class="section" id="restrictions">
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<h2>Restrictions<a class="headerlink" href="#restrictions" title="Permalink to this headline">¶</a></h2>
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<p>Improper styles can only be set for atom_style choices that allow
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impropers to be defined.</p>
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<p>Most improper styles are part of the MOLECULE package. They are only
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enabled if LAMMPS was built with that package. See the <a class="reference internal" href="Section_start.html#start-3"><span>Making LAMMPS</span></a> section for more info on packages.
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The doc pages for individual improper potentials tell if it is part of
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a package.</p>
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</div>
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<div class="section" id="related-commands">
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<h2>Related commands<a class="headerlink" href="#related-commands" title="Permalink to this headline">¶</a></h2>
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<p><a class="reference internal" href="improper_coeff.html"><em>improper_coeff</em></a></p>
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</div>
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<div class="section" id="default">
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<h2>Default<a class="headerlink" href="#default" title="Permalink to this headline">¶</a></h2>
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<div class="highlight-python"><div class="highlight"><pre>improper_style none
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</pre></div>
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