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<div class="section" id="electrons">
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<span id="module-electrons"></span><h1>electrons<a class="headerlink" href="#electrons" title="Permalink to this headline">¶</a></h1>
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<p>Describes the electrons. For the moment, only the number of alpha
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and beta electrons are provided by this module.</p>
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<div class="section" id="assumptions">
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<h2>Assumptions<a class="headerlink" href="#assumptions" title="Permalink to this headline">¶</a></h2>
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<ul class="simple">
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<li><a class="reference internal" href="#cmdoption-electrons-arg-elec-num"><code class="xref std std-option docutils literal notranslate"><span class="pre">elec_num</span></code></a> >= 0</li>
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<li><a class="reference internal" href="#cmdoption-electrons-arg-elec-alpha-num"><code class="xref std std-option docutils literal notranslate"><span class="pre">elec_alpha_num</span></code></a> >= 0</li>
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<li><a class="reference internal" href="#cmdoption-electrons-arg-elec-beta-num"><code class="xref std std-option docutils literal notranslate"><span class="pre">elec_beta_num</span></code></a> >= 0</li>
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<li><a class="reference internal" href="#cmdoption-electrons-arg-elec-alpha-num"><code class="xref std std-option docutils literal notranslate"><span class="pre">elec_alpha_num</span></code></a> >= <a class="reference internal" href="#cmdoption-electrons-arg-elec-beta-num"><code class="xref std std-option docutils literal notranslate"><span class="pre">elec_beta_num</span></code></a></li>
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</ul>
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<div class="section" id="ezfio-parameters">
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<h3>EZFIO parameters<a class="headerlink" href="#ezfio-parameters" title="Permalink to this headline">¶</a></h3>
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<dl class="option">
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<dt id="cmdoption-electrons-arg-elec-alpha-num">
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<code class="descname">elec_alpha_num</code><code class="descclassname"></code><a class="headerlink" href="#cmdoption-electrons-arg-elec-alpha-num" title="Permalink to this definition">¶</a></dt>
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<dd><p>Numbers of electrons alpha (“up”)</p>
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</dd></dl>
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<dl class="option">
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<dt id="cmdoption-electrons-arg-elec-beta-num">
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<code class="descname">elec_beta_num</code><code class="descclassname"></code><a class="headerlink" href="#cmdoption-electrons-arg-elec-beta-num" title="Permalink to this definition">¶</a></dt>
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<dd><p>Numbers of electrons beta (“down”)</p>
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</dd></dl>
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<dl class="option">
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<dt id="cmdoption-electrons-arg-elec-num">
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<code class="descname">elec_num</code><code class="descclassname"></code><a class="headerlink" href="#cmdoption-electrons-arg-elec-num" title="Permalink to this definition">¶</a></dt>
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<dd><p>Numbers total of electrons (alpha + beta)</p>
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<p>Default: = electrons.elec_alpha_num + electrons.elec_beta_num</p>
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</dd></dl>
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</div>
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<div class="section" id="providers">
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<h3>Providers<a class="headerlink" href="#providers" title="Permalink to this headline">¶</a></h3>
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<dl class="var">
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<dt id="c.elec_num">
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<code class="descname">elec_num</code><a class="headerlink" href="#c.elec_num" title="Permalink to this definition">¶</a></dt>
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<dd><p>File : <code class="file docutils literal notranslate"><span class="pre">electrons/electrons.irp.f</span></code></p>
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<div class="code fortran highlight-default notranslate"><div class="highlight"><pre><span></span><span class="n">integer</span> <span class="p">::</span> <span class="n">elec_num</span>
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<span class="n">integer</span><span class="p">,</span> <span class="n">allocatable</span> <span class="p">::</span> <span class="n">elec_num_tab</span> <span class="p">(</span><span class="mi">2</span><span class="p">)</span>
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</pre></div>
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</div>
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<p>Numbers of alpha (“up”) , beta (“down”) and total electrons</p>
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<p>Needs:</p>
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<table class="hlist"><tr><td><ul class="simple">
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<li><code class="xref c c-data docutils literal notranslate"><span class="pre">elec_alpha_num</span></code></li>
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</ul>
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</td><td><ul class="simple">
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<li><code class="xref c c-data docutils literal notranslate"><span class="pre">elec_beta_num</span></code></li>
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</ul>
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</td><td><ul class="simple">
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<li><a class="reference internal" href="ezfio_files.html#c.ezfio_filename" title="ezfio_filename"><code class="xref c c-data docutils literal notranslate"><span class="pre">ezfio_filename</span></code></a></li>
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</ul>
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</td></tr></table>
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<p>Needed by:</p>
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<table class="hlist"><tr><td><ul class="simple">
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<li><a class="reference internal" href="determinants.html#c.diagonal_h_matrix_on_psi_det" title="diagonal_h_matrix_on_psi_det"><code class="xref c c-data docutils literal notranslate"><span class="pre">diagonal_h_matrix_on_psi_det</span></code></a></li>
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<li><a class="reference internal" href="determinants.html#c.psi_det_hii" title="psi_det_hii"><code class="xref c c-data docutils literal notranslate"><span class="pre">psi_det_hii</span></code></a></li>
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</ul>
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</td><td><ul class="simple">
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<li><a class="reference internal" href="selectors_utils.html#c.psi_selectors_diag_h_mat" title="psi_selectors_diag_h_mat"><code class="xref c c-data docutils literal notranslate"><span class="pre">psi_selectors_diag_h_mat</span></code></a></li>
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</ul>
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</td><td><ul class="simple">
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<li><a class="reference internal" href="cipsi.html#c.pt2_f" title="pt2_f"><code class="xref c c-data docutils literal notranslate"><span class="pre">pt2_f</span></code></a></li>
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</ul>
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</td></tr></table>
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</dd></dl>
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<dl class="var">
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<dt id="c.elec_num_tab">
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<code class="descname">elec_num_tab</code><a class="headerlink" href="#c.elec_num_tab" title="Permalink to this definition">¶</a></dt>
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<dd><p>File : <code class="file docutils literal notranslate"><span class="pre">electrons/electrons.irp.f</span></code></p>
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<div class="code fortran highlight-default notranslate"><div class="highlight"><pre><span></span><span class="n">integer</span> <span class="p">::</span> <span class="n">elec_num</span>
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<span class="n">integer</span><span class="p">,</span> <span class="n">allocatable</span> <span class="p">::</span> <span class="n">elec_num_tab</span> <span class="p">(</span><span class="mi">2</span><span class="p">)</span>
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</pre></div>
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</div>
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<p>Numbers of alpha (“up”) , beta (“down”) and total electrons</p>
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<p>Needs:</p>
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<table class="hlist"><tr><td><ul class="simple">
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<li><code class="xref c c-data docutils literal notranslate"><span class="pre">elec_alpha_num</span></code></li>
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</ul>
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</td><td><ul class="simple">
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<li><code class="xref c c-data docutils literal notranslate"><span class="pre">elec_beta_num</span></code></li>
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</ul>
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</td><td><ul class="simple">
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<li><a class="reference internal" href="ezfio_files.html#c.ezfio_filename" title="ezfio_filename"><code class="xref c c-data docutils literal notranslate"><span class="pre">ezfio_filename</span></code></a></li>
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</ul>
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</td></tr></table>
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<p>Needed by:</p>
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<table class="hlist"><tr><td><ul class="simple">
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<li><a class="reference internal" href="determinants.html#c.diagonal_h_matrix_on_psi_det" title="diagonal_h_matrix_on_psi_det"><code class="xref c c-data docutils literal notranslate"><span class="pre">diagonal_h_matrix_on_psi_det</span></code></a></li>
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<li><a class="reference internal" href="determinants.html#c.psi_det_hii" title="psi_det_hii"><code class="xref c c-data docutils literal notranslate"><span class="pre">psi_det_hii</span></code></a></li>
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</td><td><ul class="simple">
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<li><a class="reference internal" href="selectors_utils.html#c.psi_selectors_diag_h_mat" title="psi_selectors_diag_h_mat"><code class="xref c c-data docutils literal notranslate"><span class="pre">psi_selectors_diag_h_mat</span></code></a></li>
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</td><td><ul class="simple">
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<li><a class="reference internal" href="cipsi.html#c.pt2_f" title="pt2_f"><code class="xref c c-data docutils literal notranslate"><span class="pre">pt2_f</span></code></a></li>
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</ul>
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