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<div class="section" id="psithon-functions-invoking-a-calculation">
<span id="sec-psithonfunc"></span><h1>Psithon Functions: Invoking a Calculation<a class="headerlink" href="#psithon-functions-invoking-a-calculation" title="Permalink to this headline">¶</a></h1>
<p>To allow arbitrarily complex computations to be performed, <span class="sc">Psi4</span> is built
upon the Python interpreter, with modifications termed Psithon. Sec.
<a class="reference internal" href="psithoninput.html#sec-psithoninput"><span>Psithon: Structuring an Input File</span></a> describes the non-standard Python associated with
clean molecule, basis, and option specification in the <span class="sc">Psi4</span> input file.
This documentation addresses the pure Python side- what functions allow
the efficient compiled code to be run, what functions post-process and
interact with that output, and how the ordinary (or ambitious) user can
extent <span class="sc">Psi4</span>‘s functionality.</p>
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