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.. index:: pair_style dpd/conservative
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pair_style dpd/conservative command
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===================================
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Syntax
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""""""
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.. parsed-literal::
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pair_style dpd/conservative cutoff
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* cutoff = global cutoff for DPD interactions (distance units)
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Examples
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""""""""
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.. parsed-literal::
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pair_style dpd/conservative 2.5
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pair_coeff * * 3.0 2.5
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pair_coeff 1 1 3.0
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Description
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"""""""""""
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Style *dpd/conservative* computes the conservative force for
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dissipative particle dynamics (DPD). The conservative force on atom I
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due to atom J is given by
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.. image:: Eqs/pair_dpd_conservative.jpg
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:align: center
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where the weighting factor, omega_ij, varies between 0 and 1, and is
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chosen to have the following functional form:
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.. image:: Eqs/pair_dpd_omega.jpg
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:align: center
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where Rij is a unit vector in the direction Ri - Rj, and Rc is the
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cutoff. Note that alternative definitions of the weighting function
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exist, but would have to be implemented as a separate pair style
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command.
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Style *dpd/conservative* differs from the other dpd styles in that the
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dissipative and random forces are not computed within the pair style.
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For style *dpd/conservative*\ , the pairwise energy is due only to the
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conservative force term Fc, and is shifted to be zero at the cutoff
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distance Rc. The pairwise virial is calculated using only the
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conservative term.
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Style *dpd/conservative* requires the following coefficients to be
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defined for each pair of atoms types via the
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:doc:`pair_coeff <pair_coeff>` command as in the examples above, or in
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the data file or restart files read by the :doc:`read_data <read_data>`
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or :doc:`read_restart <read_restart>` commands:
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* A (force units)
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* cutoff (distance units)
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The last coefficient is optional. If not specified, the global DPD
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cutoff is used.
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----------
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Restrictions
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""""""""""""
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The pair style *dpd/conservative* is only available if LAMMPS is built
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with the USER-DPD package.
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Related commands
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""""""""""""""""
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:doc:`pair_coeff <pair_coeff>`, :doc:`pair_dpd <pair_dpd>`
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**Default:** none
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.. _lws: http://lammps.sandia.gov
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.. _ld: Manual.html
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.. _lc: Section_commands.html#comm
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<li class="toctree-l1"><a class="reference internal" href="Section_perf.html">8. Performance & scalability</a></li>
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<div class="section" id="pair-style-dpd-conservative-command">
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<span id="index-0"></span><h1>pair_style dpd/conservative 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">pair_style</span> <span class="n">dpd</span><span class="o">/</span><span class="n">conservative</span> <span class="n">cutoff</span>
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</pre></div>
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</div>
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<ul class="simple">
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<li>cutoff = global cutoff for DPD 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</h2>
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<div class="highlight-default"><div class="highlight"><pre><span></span><span class="n">pair_style</span> <span class="n">dpd</span><span class="o">/</span><span class="n">conservative</span> <span class="mf">2.5</span>
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<span class="n">pair_coeff</span> <span class="o">*</span> <span class="o">*</span> <span class="mf">3.0</span> <span class="mf">2.5</span>
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<span class="n">pair_coeff</span> <span class="mi">1</span> <span class="mi">1</span> <span class="mf">3.0</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>Style <em>dpd/conservative</em> computes the conservative force for
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dissipative particle dynamics (DPD). The conservative force on atom I
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due to atom J is given by</p>
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<img alt="_images/pair_dpd_conservative.jpg" class="align-center" src="_images/pair_dpd_conservative.jpg" />
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<p>where the weighting factor, omega_ij, varies between 0 and 1, and is
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chosen to have the following functional form:</p>
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<img alt="_images/pair_dpd_omega.jpg" class="align-center" src="_images/pair_dpd_omega.jpg" />
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<p>where Rij is a unit vector in the direction Ri - Rj, and Rc is the
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cutoff. Note that alternative definitions of the weighting function
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exist, but would have to be implemented as a separate pair style
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command.</p>
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<p>Style <em>dpd/conservative</em> differs from the other dpd styles in that the
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dissipative and random forces are not computed within the pair style.</p>
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<p>For style <em>dpd/conservative</em>, the pairwise energy is due only to the
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conservative force term Fc, and is shifted to be zero at the cutoff
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distance Rc. The pairwise virial is calculated using only the
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conservative term.</p>
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<p>Style <em>dpd/conservative</em> requires the following coefficients to be
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defined for each pair of atoms types via the
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<a class="reference internal" href="pair_coeff.html"><span class="doc">pair_coeff</span></a> command as in the examples 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>A (force 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 DPD
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cutoff is used.</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>The pair style <em>dpd/conservative</em> is only available if LAMMPS is built
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with the USER-DPD package.</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="pair_coeff.html"><span class="doc">pair_coeff</span></a>, <a class="reference internal" href="pair_dpd.html"><span class="doc">pair_dpd</span></a></p>
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<p><strong>Default:</strong> none</p>
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