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<title>pair_style yukawa command — LAMMPS 15 May 2015 version documentation</title>
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<li>pair_style yukawa command</li>
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<div class="section" id="pair-style-yukawa-command">
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<span id="index-0"></span><h1>pair_style yukawa command<a class="headerlink" href="#pair-style-yukawa-command" title="Permalink to this headline">¶</a></h1>
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</div>
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<div class="section" id="pair-style-yukawa-gpu-command">
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<h1>pair_style yukawa/gpu command<a class="headerlink" href="#pair-style-yukawa-gpu-command" title="Permalink to this headline">¶</a></h1>
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</div>
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<div class="section" id="pair-style-yukawa-omp-command">
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<h1>pair_style yukawa/omp command<a class="headerlink" href="#pair-style-yukawa-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>pair_style yukawa kappa cutoff
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</pre></div>
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</div>
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<ul class="simple">
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<li>kappa = screening length (inverse distance units)</li>
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<li>cutoff = global cutoff for Yukawa interactions (distance units)</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>pair_style yukawa 2.0 2.5
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pair_coeff 1 1 100.0 2.3
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pair_coeff * * 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>Style <em>yukawa</em> computes pairwise interactions with the formula</p>
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<img alt="_images/pair_yukawa.jpg" class="align-center" src="_images/pair_yukawa.jpg" />
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<p>Rc is the cutoff.</p>
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<p>The following coefficients must be defined for each pair of atoms
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types via the <a class="reference internal" href="pair_coeff.html"><em>pair_coeff</em></a> command as in the examples
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above, or in the data file or restart files read by the
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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>
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commands, or by mixing as described below:</p>
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<ul class="simple">
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<li>A (energy*distance units)</li>
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<li>cutoff (distance units)</li>
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</ul>
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<p>The last coefficient is optional. If not specified, the global yukawa
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cutoff is used.</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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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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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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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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<hr class="docutils" />
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<p><strong>Mixing, shift, table, tail correction, restart, rRESPA info</strong>:</p>
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<p>For atom type pairs I,J and I != J, the A coefficient and cutoff
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distance for this pair style can be mixed. A is an energy value mixed
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like a LJ epsilon. The default mix value is <em>geometric</em>. See the
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“pair_modify” command for details.</p>
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<p>This pair style supports the <a class="reference internal" href="pair_modify.html"><em>pair_modify</em></a> shift
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option for the energy of the pair interaction.</p>
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<p>The <a class="reference internal" href="pair_modify.html"><em>pair_modify</em></a> table option is not relevant
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for this pair style.</p>
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<p>This pair style does not support the <a class="reference internal" href="pair_modify.html"><em>pair_modify</em></a>
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tail option for adding long-range tail corrections to energy and
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pressure.</p>
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<p>This pair style writes its information to <a class="reference internal" href="restart.html"><em>binary restart files</em></a>, so pair_style and pair_coeff commands do not need
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to be specified in an input script that reads a restart file.</p>
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<p>This pair style can only be used via the <em>pair</em> keyword of the
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<a class="reference internal" href="run_style.html"><em>run_style respa</em></a> command. It does not support the
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<em>inner</em>, <em>middle</em>, <em>outer</em> keywords.</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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<blockquote>
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<div>none</div></blockquote>
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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="pair_coeff.html"><em>pair_coeff</em></a></p>
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<p><strong>Default:</strong> none</p>
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