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2.0
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<p class="caption"><span class="caption-text">Introduction</span></p>
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<li class="toctree-l2"><a class="reference internal" href="#qp">* -> <em>Quantum Package</em></a></li>
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<li class="toctree-l2"><a class="reference internal" href="#id1"><em>Quantum Package</em> -> *</a></li>
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<li class="toctree-l1"><a class="reference internal" href="plugins.html">Working with external plugins</a></li>
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<div class="section" id="interfaces">
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<h1>Interfaces<a class="headerlink" href="#interfaces" title="Permalink to this headline">¶</a></h1>
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<p>A few interfaces to external codes are available.</p>
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<div class="section" id="qp">
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<h2>* -> <em>Quantum Package</em><a class="headerlink" href="#qp" title="Permalink to this headline">¶</a></h2>
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<dt><a class="reference external" href="https://www.msg.chem.iastate.edu/gamess/">GAMESS</a> / Gaussian</dt>
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<dd>Using the <a class="reference external" href="http://gitlab.com/scemama/resultsFile">resultsFile</a> Python library, the geometry and <abbr title="Molecular Orbitals">MOs</abbr> can be read.
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This is useful to make calculations with <abbr title="Complete Active Space">CAS</abbr> - <abbr title="Self Consistent Field">SCF</abbr> orbitals</dd>
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</dl>
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<div class="section" id="id1">
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<h2><em>Quantum Package</em> -> *<a class="headerlink" href="#id1" title="Permalink to this headline">¶</a></h2>
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<dl class="docutils">
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<dt><a class="reference external" href="http://cheminf.cmbi.ru.nl/molden/">Molden</a></dt>
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<dd>3D plots of Molecular Orbitals</dd>
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<dt>FCIDUMP</dt>
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<dd>Interface with the <abbr title="Full Configuration Interaction">FCI</abbr> - <abbr title="Quantum Monte Carlo">QMC</abbr> program <a class="reference external" href="https://github.com/ghb24/NECI_STABLE">NECI</a>, or the semi-stochastic
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Heat-Bath <abbr title="Configuration Interaction">CI</abbr> program <a class="reference external" href="https://sanshar.github.io/Dice/">Dice</a>.</dd>
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</dl>
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<p><a class="reference external" href="https://qmcpack.org">QMCPack</a> / <a class="reference external" href="https://www.utwente.nl/en/tnw/ccp/research/CHAMP.html">CHAMP</a> /
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<a class="reference external" href="https://gitlab.com/scemama/qmcchem">QMC=Chem</a>
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Trial wave functions can be used for <abbr title="Quantum Monte Carlo">QMC</abbr>, with or without pseudo-potentials.
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These interfaces are provided as <a class="reference external" href="https://gitlab.com/scemama/qp_plugins">external plugins</a>.</p>
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