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<title>bond_style command — LAMMPS 15 May 2015 version documentation</title>
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<div class="section" id="bond-style-command">
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<span id="index-0"></span><h1>bond_style command<a class="headerlink" href="#bond-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>bond_style style args
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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>fene</em> or <em>fene/expand</em> or <em>harmonic</em> or <em>morse</em> or <em>nonlinear</em> or <em>quartic</em></li>
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</ul>
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<pre class="literal-block">
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args = none for any style except <em>hybrid</em>
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<em>hybrid</em> args = list of one or more styles
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</pre>
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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>bond_style harmonic
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bond_style fene
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bond_style hybrid harmonic fene
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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 bond interactions between
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pairs of atoms. In LAMMPS, a bond differs from a pairwise
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interaction, which are set via the <a class="reference internal" href="pair_style.html"><em>pair_style</em></a>
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command. Bonds are defined between specified pairs of atoms and
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remain in force for the duration of the simulation (unless the bond
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breaks which is possible in some bond potentials). The list of bonded
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atoms is read in by a <a class="reference internal" href="read_data.html"><em>read_data</em></a> or
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<a class="reference internal" href="read_restart.html"><em>read_restart</em></a> command from a data or restart file.
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By contrast, pair potentials are typically defined between all pairs
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of atoms within a cutoff distance and the set of active interactions
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changes over time.</p>
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<p>Hybrid models where bonds are computed using different bond potentials
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can be setup using the <em>hybrid</em> bond style.</p>
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<p>The coefficients associated with a bond style can be specified in a
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data or restart file or via the <a class="reference internal" href="bond_coeff.html"><em>bond_coeff</em></a> command.</p>
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<p>All bond potentials store their coefficient data in binary restart
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files which means bond_style and <a class="reference internal" href="bond_coeff.html"><em>bond_coeff</em></a> commands
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do not need to be re-specified in an input script that restarts a
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simulation. See the <a class="reference internal" href="read_restart.html"><em>read_restart</em></a> command for
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details on how to do this. The one exception is that bond_style
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<em>hybrid</em> only stores the list of sub-styles in the restart file; bond
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coefficients need to be re-specified.</p>
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<div class="admonition warning">
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<p class="first admonition-title">Warning</p>
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<p class="last">When both a bond 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 2 bonded atoms.</p>
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</div>
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<p>In the formulas listed for each bond style, <em>r</em> is the distance
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between the 2 atoms in the bond.</p>
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<hr class="docutils" />
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<p>Here is an alphabetic list of bond styles defined in LAMMPS. Click on
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the style to display the formula it computes and coefficients
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specified by the associated <a class="reference internal" href="bond_coeff.html"><em>bond_coeff</em></a> command.</p>
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<p>Note that there are also additional bond 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 bond section of <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="bond_none.html"><em>bond_style none</em></a> - turn off bonded interactions</li>
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<li><a class="reference internal" href="bond_hybrid.html"><em>bond_style hybrid</em></a> - define multiple styles of bond interactions</li>
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<li><a class="reference internal" href="bond_class2.html"><em>bond_style class2</em></a> - COMPASS (class 2) bond</li>
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<li><a class="reference internal" href="bond_fene.html"><em>bond_style fene</em></a> - FENE (finite-extensible non-linear elastic) bond</li>
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<li><a class="reference internal" href="bond_fene_expand.html"><em>bond_style fene/expand</em></a> - FENE bonds with variable size particles</li>
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<li><a class="reference internal" href="bond_harmonic.html"><em>bond_style harmonic</em></a> - harmonic bond</li>
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<li><a class="reference internal" href="bond_morse.html"><em>bond_style morse</em></a> - Morse bond</li>
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<li><a class="reference internal" href="bond_nonlinear.html"><em>bond_style nonlinear</em></a> - nonlinear bond</li>
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<li><a class="reference internal" href="bond_quartic.html"><em>bond_style quartic</em></a> - breakable quartic bond</li>
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<li><a class="reference internal" href="bond_table.html"><em>bond_style table</em></a> - tabulated by bond length</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>Bond styles can only be set for atom styles that allow bonds to be
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defined.</p>
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<p>Most bond 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 bond potentials tell if it is part of a
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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="bond_coeff.html"><em>bond_coeff</em></a>, <a class="reference internal" href="delete_bonds.html"><em>delete_bonds</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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<p>bond_style none</p>
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