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<div class="navpath"><b>sc</b>::<a class="el" href="classsc_1_1VWN1LCFunctional.html">VWN1LCFunctional</a>
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<h1>sc::VWN1LCFunctional Class Reference</h1><!-- doxytag: class="sc::VWN1LCFunctional" --><!-- doxytag: inherits="sc::VWNLCFunctional" -->The <a class="el" href="classsc_1_1VWN1LCFunctional.html" title="The VWN1LCFunctional computes energies and densities using the VWN1 local correlation...">VWN1LCFunctional</a> computes energies and densities using the VWN1 local correlation term (from Vosko, Wilk, and Nusair).
<a href="#_details">More...</a>
<p>
<code>#include <<a class="el" href="functional_8h_source.html">functional.h</a>></code>
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Inheritance diagram for sc::VWN1LCFunctional:</div>
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<p><center><img src="classsc_1_1VWN1LCFunctional.png" usemap="#sc::VWN1LCFunctional_map" border="0" alt=""></center>
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<p>
<a href="classsc_1_1VWN1LCFunctional-members.html">List of all members.</a><table border="0" cellpadding="0" cellspacing="0">
<tr><td></td></tr>
<tr><td colspan="2"><br><h2>Public Member Functions</h2></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="a8d136929ac2c607315f7dd2cb9b1eae"></a><!-- doxytag: member="sc::VWN1LCFunctional::VWN1LCFunctional" ref="a8d136929ac2c607315f7dd2cb9b1eae" args="()" -->
</td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1VWN1LCFunctional.html#a8d136929ac2c607315f7dd2cb9b1eae">VWN1LCFunctional</a> ()</td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Construct a VWN1 functional using Monte-Carlo parameters. <br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="a84010960e05839097c0be1006f245a9"></a><!-- doxytag: member="sc::VWN1LCFunctional::VWN1LCFunctional" ref="a84010960e05839097c0be1006f245a9" args="(int use_rpa)" -->
</td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1VWN1LCFunctional.html#a84010960e05839097c0be1006f245a9">VWN1LCFunctional</a> (int use_rpa)</td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Construct a VWN1 functional using the RPA parameters. <br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"> </td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1VWN1LCFunctional.html#bc42284f7578743a4d0fb60abfd3a126">VWN1LCFunctional</a> (const <a class="el" href="classsc_1_1Ref.html">Ref</a>< <a class="el" href="classsc_1_1KeyVal.html">KeyVal</a> > &)</td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Construct a VWN1 functional using the Monte-Carlo parameters by default. <a href="#bc42284f7578743a4d0fb60abfd3a126"></a><br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="810bbc4695b55a4a33c68fa3f0a6993d"></a><!-- doxytag: member="sc::VWN1LCFunctional::VWN1LCFunctional" ref="810bbc4695b55a4a33c68fa3f0a6993d" args="(StateIn &)" -->
</td><td class="memItemRight" valign="bottom"><b>VWN1LCFunctional</b> (<a class="el" href="classsc_1_1StateIn.html">StateIn</a> &)</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1VWN1LCFunctional.html#f97ae46540a066222dc31c4f5b31a17b">save_data_state</a> (<a class="el" href="classsc_1_1StateOut.html">StateOut</a> &)</td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Save the base classes (with save_data_state) and the members in the same order that the <a class="el" href="classsc_1_1StateIn.html" title="Restores objects that derive from SavableState.">StateIn</a> CTOR initializes them. <a href="#f97ae46540a066222dc31c4f5b31a17b"></a><br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="105db47ea1f8534eeb2998cec56e9b65"></a><!-- doxytag: member="sc::VWN1LCFunctional::point_lc" ref="105db47ea1f8534eeb2998cec56e9b65" args="(const PointInputData &, PointOutputData &, double &, double &, double &)" -->
void </td><td class="memItemRight" valign="bottom"><b>point_lc</b> (const <a class="el" href="structsc_1_1PointInputData.html">PointInputData</a> &, <a class="el" href="structsc_1_1PointOutputData.html">PointOutputData</a> &, double &, double &, double &)</td></tr>
<tr><td colspan="2"><br><h2>Protected Attributes</h2></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="92cc4a833abf89d56d04df9c2d7bc3ad"></a><!-- doxytag: member="sc::VWN1LCFunctional::x0p_" ref="92cc4a833abf89d56d04df9c2d7bc3ad" args="" -->
double </td><td class="memItemRight" valign="bottom"><b>x0p_</b></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="c69fc50cbeff098a2028811a5c295885"></a><!-- doxytag: member="sc::VWN1LCFunctional::bp_" ref="c69fc50cbeff098a2028811a5c295885" args="" -->
double </td><td class="memItemRight" valign="bottom"><b>bp_</b></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="dfc84b2e44d953fb82cff76d69431249"></a><!-- doxytag: member="sc::VWN1LCFunctional::cp_" ref="dfc84b2e44d953fb82cff76d69431249" args="" -->
double </td><td class="memItemRight" valign="bottom"><b>cp_</b></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="a4627f54d98c0db78e880acfdc85f7b4"></a><!-- doxytag: member="sc::VWN1LCFunctional::x0f_" ref="a4627f54d98c0db78e880acfdc85f7b4" args="" -->
double </td><td class="memItemRight" valign="bottom"><b>x0f_</b></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="4f941731fb29be17987ad65a5f2eb101"></a><!-- doxytag: member="sc::VWN1LCFunctional::bf_" ref="4f941731fb29be17987ad65a5f2eb101" args="" -->
double </td><td class="memItemRight" valign="bottom"><b>bf_</b></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="e66aaae7efff5e87349989a2c40f8342"></a><!-- doxytag: member="sc::VWN1LCFunctional::cf_" ref="e66aaae7efff5e87349989a2c40f8342" args="" -->
double </td><td class="memItemRight" valign="bottom"><b>cf_</b></td></tr>
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<hr><a name="_details"></a><h2>Detailed Description</h2>
The <a class="el" href="classsc_1_1VWN1LCFunctional.html" title="The VWN1LCFunctional computes energies and densities using the VWN1 local correlation...">VWN1LCFunctional</a> computes energies and densities using the VWN1 local correlation term (from Vosko, Wilk, and Nusair).
<p>
<hr><h2>Constructor & Destructor Documentation</h2>
<a class="anchor" name="bc42284f7578743a4d0fb60abfd3a126"></a><!-- doxytag: member="sc::VWN1LCFunctional::VWN1LCFunctional" ref="bc42284f7578743a4d0fb60abfd3a126" args="(const Ref< KeyVal > &)" -->
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<td class="memname">sc::VWN1LCFunctional::VWN1LCFunctional </td>
<td>(</td>
<td class="paramtype">const <a class="el" href="classsc_1_1Ref.html">Ref</a>< <a class="el" href="classsc_1_1KeyVal.html">KeyVal</a> > & </td>
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<td> ) </td>
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<p>
Construct a VWN1 functional using the Monte-Carlo parameters by default.
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If rpa is set to true, then load the RPA paramenters. Furthermore, each value can be overridden by assigning to x0p, bp, cp, x0f, bf, and/or cf.
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<hr><h2>Member Function Documentation</h2>
<a class="anchor" name="f97ae46540a066222dc31c4f5b31a17b"></a><!-- doxytag: member="sc::VWN1LCFunctional::save_data_state" ref="f97ae46540a066222dc31c4f5b31a17b" args="(StateOut &)" -->
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<td class="memname">void sc::VWN1LCFunctional::save_data_state </td>
<td>(</td>
<td class="paramtype"><a class="el" href="classsc_1_1StateOut.html">StateOut</a> & </td>
<td class="paramname"> </td>
<td> ) </td>
<td><code> [virtual]</code></td>
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<p>
Save the base classes (with save_data_state) and the members in the same order that the <a class="el" href="classsc_1_1StateIn.html" title="Restores objects that derive from SavableState.">StateIn</a> CTOR initializes them.
<p>
This must be implemented by the derived class if the class has data.
<p>Reimplemented from <a class="el" href="classsc_1_1VWNLCFunctional.html#b7c7f6ecd557dc398db1600a5ee1c948">sc::VWNLCFunctional</a>.</p>
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<hr>The documentation for this class was generated from the following file:<ul>
<li><a class="el" href="functional_8h_source.html">functional.h</a></ul>
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