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<div class=col-md-9 content><section id="feos-paircorrelation">
<h1>feos.PairCorrelation<a class="headerlink" href="#feos-paircorrelation" title="Link to this heading">¶</a></h1>
<dl class="py class">
<dt class="sig sig-object py" id="feos.PairCorrelation">
<span class="property"><span class="k"><span class="pre">class</span></span><span class="w"> </span></span><span class="sig-prename descclassname"><span class="pre">feos.</span></span><span class="sig-name descname"><span class="pre">PairCorrelation</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">bulk</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">test_particle</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">n_grid</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">width</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#feos.PairCorrelation" title="Link to this definition">¶</a></dt>
<dd><p>Density profile and properties of a test particle system.</p>
<dl class="field-list simple">
<dt class="field-odd">Parameters<span class="colon">:</span></dt>
<dd class="field-odd"><ul class="simple">
<li><p><strong>bulk</strong> (<a class="reference internal" href="feos.State.html#feos.State" title="feos.State"><em>State</em></a>) – The bulk state in equilibrium with the profile.</p></li>
<li><p><strong>test_particle</strong> (<em>int</em>) – The index of the test particle.</p></li>
<li><p><strong>n_grid</strong> (<em>int</em>) – The number of grid points.</p></li>
<li><p><strong>width</strong> (<em>SINumber</em>) – The width of the system.</p></li>
</ul>
</dd>
<dt class="field-even">Return type<span class="colon">:</span></dt>
<dd class="field-even"><p><a class="reference internal" href="#feos.PairCorrelation" title="feos.PairCorrelation">PairCorrelation</a></p>
</dd>
</dl>
<p class="rubric">Methods</p>
<div class="table-wrapper autosummary longtable docutils container">
<table class="autosummary longtable docutils align-default">
<tbody>
<tr class="row-odd"><td><p><a class="reference internal" href="feos.PairCorrelation.__init__.html#feos.PairCorrelation.__init__" title="feos.PairCorrelation.__init__"><code class="xref py py-obj docutils literal notranslate"><span class="pre">__init__</span></code></a>()</p></td>
<td><p></p></td>
</tr>
<tr class="row-even"><td><p><a class="reference internal" href="feos.PairCorrelation.entropy.html#feos.PairCorrelation.entropy" title="feos.PairCorrelation.entropy"><code class="xref py py-obj docutils literal notranslate"><span class="pre">entropy</span></code></a>(contributions)</p></td>
<td><p>Calculate the entropy of the inhomogeneous system.</p></td>
</tr>
<tr class="row-odd"><td><p><a class="reference internal" href="feos.PairCorrelation.entropy_density.html#feos.PairCorrelation.entropy_density" title="feos.PairCorrelation.entropy_density"><code class="xref py py-obj docutils literal notranslate"><span class="pre">entropy_density</span></code></a>(contributions)</p></td>
<td><p>Calculate the entropy density of the inhomogeneous system.</p></td>
</tr>
<tr class="row-even"><td><p><a class="reference internal" href="feos.PairCorrelation.internal_energy.html#feos.PairCorrelation.internal_energy" title="feos.PairCorrelation.internal_energy"><code class="xref py py-obj docutils literal notranslate"><span class="pre">internal_energy</span></code></a>(contributions)</p></td>
<td><p>Calculate the internal energy of the inhomogeneous system.</p></td>
</tr>
<tr class="row-odd"><td><p><a class="reference internal" href="feos.PairCorrelation.residual.html#feos.PairCorrelation.residual" title="feos.PairCorrelation.residual"><code class="xref py py-obj docutils literal notranslate"><span class="pre">residual</span></code></a>([log])</p></td>
<td><p>Calculate the residual for the given profile.</p></td>
</tr>
<tr class="row-even"><td><p><a class="reference internal" href="feos.PairCorrelation.solve.html#feos.PairCorrelation.solve" title="feos.PairCorrelation.solve"><code class="xref py py-obj docutils literal notranslate"><span class="pre">solve</span></code></a>([solver, debug])</p></td>
<td><p>Solve the profile in-place.</p></td>
</tr>
</tbody>
</table>
</div>
<p class="rubric">Attributes</p>
<div class="table-wrapper autosummary longtable docutils container">
<table class="autosummary longtable docutils align-default">
<tbody>
<tr class="row-odd"><td><p><code class="xref py py-obj docutils literal notranslate"><span class="pre">bulk</span></code></p></td>
<td><p></p></td>
</tr>
<tr class="row-even"><td><p><code class="xref py py-obj docutils literal notranslate"><span class="pre">density</span></code></p></td>
<td><p></p></td>
</tr>
<tr class="row-odd"><td><p><code class="xref py py-obj docutils literal notranslate"><span class="pre">dn_dmu</span></code></p></td>
<td><p></p></td>
</tr>
<tr class="row-even"><td><p><code class="xref py py-obj docutils literal notranslate"><span class="pre">dn_dp</span></code></p></td>
<td><p></p></td>
</tr>
<tr class="row-odd"><td><p><code class="xref py py-obj docutils literal notranslate"><span class="pre">dn_dt</span></code></p></td>
<td><p></p></td>
</tr>
<tr class="row-even"><td><p><code class="xref py py-obj docutils literal notranslate"><span class="pre">drho_dmu</span></code></p></td>
<td><p></p></td>
</tr>
<tr class="row-odd"><td><p><code class="xref py py-obj docutils literal notranslate"><span class="pre">drho_dp</span></code></p></td>
<td><p></p></td>
</tr>
<tr class="row-even"><td><p><code class="xref py py-obj docutils literal notranslate"><span class="pre">drho_dt</span></code></p></td>
<td><p></p></td>
</tr>
<tr class="row-odd"><td><p><code class="xref py py-obj docutils literal notranslate"><span class="pre">external_potential</span></code></p></td>
<td><p></p></td>
</tr>
<tr class="row-even"><td><p><code class="xref py py-obj docutils literal notranslate"><span class="pre">functional_derivative</span></code></p></td>
<td><p></p></td>
</tr>
<tr class="row-odd"><td><p><code class="xref py py-obj docutils literal notranslate"><span class="pre">grand_potential_density</span></code></p></td>
<td><p></p></td>
</tr>
<tr class="row-even"><td><p><code class="xref py py-obj docutils literal notranslate"><span class="pre">moles</span></code></p></td>
<td><p></p></td>
</tr>
<tr class="row-odd"><td><p><code class="xref py py-obj docutils literal notranslate"><span class="pre">pair_correlation_function</span></code></p></td>
<td><p></p></td>
</tr>
<tr class="row-even"><td><p><code class="xref py py-obj docutils literal notranslate"><span class="pre">r</span></code></p></td>
<td><p></p></td>
</tr>
<tr class="row-odd"><td><p><code class="xref py py-obj docutils literal notranslate"><span class="pre">self_solvation_free_energy</span></code></p></td>
<td><p></p></td>
</tr>
<tr class="row-even"><td><p><code class="xref py py-obj docutils literal notranslate"><span class="pre">solver_log</span></code></p></td>
<td><p></p></td>
</tr>
<tr class="row-odd"><td><p><code class="xref py py-obj docutils literal notranslate"><span class="pre">structure_factor</span></code></p></td>
<td><p></p></td>
</tr>
<tr class="row-even"><td><p><code class="xref py py-obj docutils literal notranslate"><span class="pre">temperature</span></code></p></td>
<td><p></p></td>
</tr>
<tr class="row-odd"><td><p><code class="xref py py-obj docutils literal notranslate"><span class="pre">total_moles</span></code></p></td>
<td><p></p></td>
</tr>
<tr class="row-even"><td><p><code class="xref py py-obj docutils literal notranslate"><span class="pre">weighted_densities</span></code></p></td>
<td><p></p></td>
</tr>
</tbody>
</table>
</div>
</dd></dl>
</section>
</article>
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