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<div class="section" id="qp-set-frozen-core">
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<span id="id1"></span><h1>qp_set_frozen_core<a class="headerlink" href="#qp-set-frozen-core" title="Permalink to this headline">¶</a></h1>
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<p>Automatically finds <em>n</em>, the number of core electrons. Calls
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<a class="reference internal" href="qp_set_mo_class.html#qp-set-mo-class"><span class="std std-ref">qp_set_mo_class</span></a> setting all <abbr title="Molecular Orbitals">MOs</abbr> as <code class="docutils literal notranslate"><span class="pre">Active</span></code>, except the
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<span class="math notranslate nohighlight">\(n/2\)</span> first ones which are set as <code class="docutils literal notranslate"><span class="pre">Core</span></code>. If pseudo-potentials
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are used, all the <abbr title="Molecular Orbitals">MOs</abbr> are set as <code class="docutils literal notranslate"><span class="pre">Active</span></code>.</p>
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<p>For elements on the right of the periodic table, <cite>qp_set_frozen_core</cite>
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will work as expected. But for elements on the left, a small core will
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be chosen. For example, a Carbon atom will have 2 core electrons, but a
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Lithium atom will have zero.</p>
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<div class="section" id="usage">
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<h2>Usage<a class="headerlink" href="#usage" title="Permalink to this headline">¶</a></h2>
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<div class="code bash highlight-default notranslate"><div class="highlight"><pre><span></span><span class="n">qp_set_frozen_core</span> <span class="p">[</span><span class="o">-</span><span class="n">q</span><span class="p">]</span> <span class="n">EZFIO_DIR</span>
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</pre></div>
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<dl class="option">
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<dt id="cmdoption-qp-set-frozen-core-q">
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<code class="descname">-q</code><code class="descclassname"></code><a class="headerlink" href="#cmdoption-qp-set-frozen-core-q" title="Permalink to this definition">¶</a></dt>
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<dd><p>Prints in the standard output the number of core electrons.</p>
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</dd></dl>
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