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<li>bond_style fene command</li>
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<div class="section" id="bond-style-fene-command">
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<span id="index-0"></span><h1>bond_style fene command</h1>
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</div>
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<div class="section" id="bond-style-fene-intel-command">
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<h1>bond_style fene/intel command</h1>
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</div>
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<div class="section" id="bond-style-fene-kk-command">
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<h1>bond_style fene/kk command</h1>
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</div>
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<div class="section" id="bond-style-fene-omp-command">
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<h1>bond_style fene/omp command</h1>
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<div class="section" id="syntax">
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<h2>Syntax</h2>
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<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">bond_style</span> <span class="n">fene</span>
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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</h2>
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<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">bond_style</span> <span class="n">fene</span>
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<span class="n">bond_coeff</span> <span class="mi">1</span> <span class="mf">30.0</span> <span class="mf">1.5</span> <span class="mf">1.0</span> <span class="mf">1.0</span>
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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</h2>
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<p>The <em>fene</em> bond style uses the potential</p>
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<img alt="_images/bond_fene.jpg" class="align-center" src="_images/bond_fene.jpg" />
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<p>to define a finite extensible nonlinear elastic (FENE) potential
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<a class="reference internal" href="#fene-kremer"><span class="std std-ref">(Kremer)</span></a>, used for bead-spring polymer models. The first
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term is attractive, the 2nd Lennard-Jones term is repulsive. The
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first term extends to R0, the maximum extent of the bond. The 2nd
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term is cutoff at 2^(1/6) sigma, the minimum of the LJ potential.</p>
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<p>The following coefficients must be defined for each bond type via the
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<a class="reference internal" href="bond_coeff.html"><span class="doc">bond_coeff</span></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"><span class="doc">read_data</span></a>
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or <a class="reference internal" href="read_restart.html"><span class="doc">read_restart</span></a> commands:</p>
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<ul class="simple">
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<li>K (energy/distance^2)</li>
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<li>R0 (distance)</li>
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<li>epsilon (energy)</li>
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<li>sigma (distance)</li>
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</ul>
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<hr class="docutils" />
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<p>Styles with a <em>gpu</em>, <em>intel</em>, <em>kk</em>, <em>omp</em>, or <em>opt</em> 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"><span class="doc">Section_accelerate</span></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 GPU, USER-INTEL, KOKKOS,
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USER-OMP and OPT packages, respectively. They are only enabled if
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LAMMPS was built with those packages. See the <a class="reference internal" href="Section_start.html#start-3"><span class="std std-ref">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 class="std std-ref">-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"><span class="doc">suffix</span></a> command in your input script.</p>
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<p>See <a class="reference internal" href="Section_accelerate.html"><span class="doc">Section_accelerate</span></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</h2>
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<p>This bond 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 class="std std-ref">Making LAMMPS</span></a> section for more info on packages.</p>
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<p>You typically should specify <a class="reference external" href="special_bonds.html"">special_bonds fene</a>
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or <a class="reference internal" href="special_bonds.html"><span class="doc">special_bonds lj/coul 0 1 1</span></a> to use this bond
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style. LAMMPS will issue a warning it that’s not the case.</p>
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</div>
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<div class="section" id="related-commands">
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<h2>Related commands</h2>
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<p><a class="reference internal" href="bond_coeff.html"><span class="doc">bond_coeff</span></a>, <a class="reference internal" href="delete_bonds.html"><span class="doc">delete_bonds</span></a></p>
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<p><strong>Default:</strong> none</p>
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<hr class="docutils" />
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<p id="fene-kremer"><strong>(Kremer)</strong> Kremer, Grest, J Chem Phys, 92, 5057 (1990).</p>
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