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<title>angle_style cosine/squared command — LAMMPS 15 May 2015 version documentation</title>
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<li>angle_style cosine/squared command</li>
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<div class="section" id="angle-style-cosine-squared-command">
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<span id="index-0"></span><h1>angle_style cosine/squared command<a class="headerlink" href="#angle-style-cosine-squared-command" title="Permalink to this headline">¶</a></h1>
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</div>
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<div class="section" id="angle-style-cosine-squared-omp-command">
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<h1>angle_style cosine/squared/omp command<a class="headerlink" href="#angle-style-cosine-squared-omp-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>angle_style cosine/squared
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</pre></div>
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</div>
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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>angle_style cosine/squared
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angle_coeff 2*4 75.0 100.0
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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>cosine/squared</em> angle style uses the potential</p>
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<img alt="_images/angle_cosine_squared.jpg" class="align-center" src="_images/angle_cosine_squared.jpg" />
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<p>where theta0 is the equilibrium value of the angle, and K is a
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prefactor. Note that the usual 1/2 factor is included in K.</p>
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<p>The following coefficients must be defined for each angle type via the
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<a class="reference internal" href="angle_coeff.html"><em>angle_coeff</em></a> command as in the example above, or in
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the data file or restart files read by the <a class="reference internal" href="read_data.html"><em>read_data</em></a>
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or <a class="reference internal" href="read_restart.html"><em>read_restart</em></a> commands:</p>
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<ul class="simple">
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<li>K (energy)</li>
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<li>theta0 (degrees)</li>
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</ul>
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<p>Theta0 is specified in degrees, but LAMMPS converts it to radians
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internally.</p>
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<hr class="docutils" />
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<p>Styles with a <em>cuda</em>, <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> suffix are
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<HR>
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<H3>angle_style cosine/squared command
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</H3>
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<H3>angle_style cosine/squared/omp command
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</H3>
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<P><B>Syntax:</B>
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</P>
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<PRE>angle_style cosine/squared
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</PRE>
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<P><B>Examples:</B>
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</P>
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<PRE>angle_style cosine/squared
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angle_coeff 2*4 75.0 100.0
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</PRE>
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<P><B>Description:</B>
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</P>
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<P>The <I>cosine/squared</I> angle style uses the potential
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</P>
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<CENTER><IMG SRC = "Eqs/angle_cosine_squared.jpg">
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</CENTER>
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<P>where theta0 is the equilibrium value of the angle, and K is a
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prefactor. Note that the usual 1/2 factor is included in K.
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</P>
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<P>The following coefficients must be defined for each angle type via the
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<A HREF = "angle_coeff.html">angle_coeff</A> command as in the example above, or in
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the data file or restart files read by the <A HREF = "read_data.html">read_data</A>
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or <A HREF = "read_restart.html">read_restart</A> commands:
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</P>
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<UL><LI>K (energy)
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<LI>theta0 (degrees)
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</UL>
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<P>Theta0 is specified in degrees, but LAMMPS converts it to radians
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internally.
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</P>
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<HR>
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<P>Styles with a <I>cuda</I>, <I>gpu</I>, <I>intel</I>, <I>kk</I>, <I>omp</I>, or <I>opt</I> suffix are
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functionally the same as the corresponding style without the suffix.
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They have been optimized to run faster, depending on your available
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hardware, as discussed in <a class="reference internal" href="Section_accelerate.html"><em>Section_accelerate</em></a>
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hardware, as discussed in <A HREF = "Section_accelerate.html">Section_accelerate</A>
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of the manual. The accelerated styles take the same arguments and
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should produce the same results, except for round-off and precision
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issues.</p>
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<p>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
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issues.
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</P>
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<P>These accelerated styles are part of the USER-CUDA, GPU, USER-INTEL,
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KOKKOS, USER-OMP and OPT packages, respectively. They are only
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enabled if LAMMPS was built with those packages. See the <a class="reference internal" href="Section_start.html#start-3"><span>Making LAMMPS</span></a> section for more info.</p>
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<p>You can specify the accelerated styles explicitly in your input script
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by including their suffix, or you can use the <a class="reference internal" href="Section_start.html#start-7"><span>-suffix command-line switch</span></a> when you invoke LAMMPS, or you can
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use the <a class="reference internal" href="suffix.html"><em>suffix</em></a> command in your input script.</p>
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<p>See <a class="reference internal" href="Section_accelerate.html"><em>Section_accelerate</em></a> of the manual for
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more instructions on how to use the accelerated styles effectively.</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 angle 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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</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="angle_coeff.html"><em>angle_coeff</em></a></p>
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<p><strong>Default:</strong> none</p>
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</div>
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</div>
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enabled if LAMMPS was built with those packages. See the <A HREF = "Section_start.html#start_3">Making
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LAMMPS</A> section for more info.
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</P>
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<P>You can specify the accelerated styles explicitly in your input script
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by including their suffix, or you can use the <A HREF = "Section_start.html#start_7">-suffix command-line
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switch</A> when you invoke LAMMPS, or you can
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use the <A HREF = "suffix.html">suffix</A> command in your input script.
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</P>
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<P>See <A HREF = "Section_accelerate.html">Section_accelerate</A> of the manual for
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more instructions on how to use the accelerated styles effectively.
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<P><B>Restrictions:</B>
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<P>This angle 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 HREF = "Section_start.html#start_3">Making
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LAMMPS</A> section for more info on packages.
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<P><B>Related commands:</B>
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</P>
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<P><A HREF = "angle_coeff.html">angle_coeff</A>
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