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<li>improper_style hybrid command</li>
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<div class="section" id="improper-style-hybrid-command">
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<span id="index-0"></span><h1>improper_style hybrid command<a class="headerlink" href="#improper-style-hybrid-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 hybrid style1 style2 ...
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</pre></div>
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</div>
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<ul class="simple">
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<li>style1,style2 = list of one or more improper styles</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 hybrid harmonic helix
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improper_coeff 1 harmonic 120.0 30
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improper_coeff 2 cvff 20.0 -1 2
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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>The <em>hybrid</em> style enables the use of multiple improper styles in one
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simulation. An improper style is assigned to each improper type. For
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example, impropers in a polymer flow (of improper type 1) could be
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computed with a <em>harmonic</em> potential and impropers in the wall
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boundary (of improper type 2) could be computed with a <em>cvff</em>
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potential. The assignment of improper type to style is made via the
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<a class="reference internal" href="improper_coeff.html"><em>improper_coeff</em></a> command or in the data file.</p>
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<p>In the improper_coeff command, the first coefficient sets the improper
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style and the remaining coefficients are those appropriate to that
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style. In the example above, the 2 improper_coeff commands would set
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impropers of improper type 1 to be computed with a <em>harmonic</em>
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potential with coefficients 120.0, 30 for K, X0. Improper type 2
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would be computed with a <em>cvff</em> potential with coefficients 20.0, -1,
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2 for K, d, n.</p>
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<p>If the improper <em>class2</em> potential is one of the hybrid styles, it
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requires additional AngleAngle coefficients be specified in the data
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file. These lines must also have an additional “class2” argument
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added after the improper type. For improper types which are assigned
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to other hybrid styles, use the style name (e.g. “harmonic”)
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appropriate to that style. The AngleAngle coeffs for that improper
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type will then be ignored.</p>
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<p>An improper style of <em>none</em> can be specified as the 2nd argument to
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the improper_coeff command, if you desire to turn off certain improper
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types.</p>
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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>This improper style can only be used if LAMMPS was built with the
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MOLECULE package (which it is by default). See the <a class="reference internal" href="Section_start.html#start-3"><span>Making LAMMPS</span></a> section for more info on packages.</p>
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<p>Unlike other improper styles, the hybrid improper style does not store
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improper coefficient info for individual sub-styles in a <a class="reference internal" href="restart.html"><em>binary restart files</em></a>. Thus when retarting a simulation from a
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restart file, you need to re-specify improper_coeff commands.</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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<p><strong>Default:</strong> none</p>
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