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<div class="section" id="interface-to-molden">
<span id="sec-molden"></span><span id="index-0"></span><h1>Interface to Molden<a class="headerlink" href="#interface-to-molden" title="Permalink to this headline">¶</a></h1>
<p><em>Code author: Justin M. Turney</em></p>
<p><em>Section author: C. David Sherrill</em></p>
<p><span class="sc">Psi4</span> contains an interface to the Molden program. Molden is a
visualization program for electronic structure developed by Gijs Schaftenaar
at the University of of Nijmegen, Netherlands. It is available at
<a class="reference external" href="http://www.cmbi.ru.nl/molden/">http://www.cmbi.ru.nl/molden/</a>. Molden can
plot atomic orbitals, densities, electrostatic potentials (ESP’s), etc.
<span class="sc">Psi4</span> can create a file containing
atomic coordinates, basis set, and SCF orbital coefficients in the
so-called Molden format. This file is
written by the SCF module (see Section <a class="reference internal" href="scf.html#sec-scf"><span>SCF</span></a>)
if the user sets the <a class="reference internal" href="autodoc_glossary_options_c.html#term-molden-write-scf"><span class="xref std std-term">MOLDEN_WRITE</span></a> keyword to true. This Molden file is
also used to pass information between <span class="sc">Psi4</span> and WebMO, if <span class="sc">Psi4</span>
computations are invoked using the WebMO GUI. The filename of the
Molden file ends in ”.molden”, and the prefix is determined by
<a class="reference internal" href="autodoc_glossary_options_c.html#term-writer-file-label-globals"><span class="xref std std-term">WRITER_FILE_LABEL</span></a> (if set), or else by the name of the output
file plus the name of the current molecule.</p>
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