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<hr><h1>sc::VWN1LCFunctional Class Reference</h1>The <a class="el" href="class_sc__VWN1LCFunctional.html">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_h-source.html">functional.h</a>></code>
<p>
Inheritance diagram for sc::VWN1LCFunctional<p><center><img src="class_sc__VWN1LCFunctional_inherit_graph.gif" border="0" usemap="#sc::VWN1LCFunctional_inherit_map" alt="Inheritance graph"></center>
<map name="sc::VWN1LCFunctional_inherit_map">
<area href="class_sc__VWNLCFunctional.html" shape="rect" coords="18,414,154,433">
<area href="class_sc__LSDACFunctional.html" shape="rect" coords="21,347,151,366">
<area href="class_sc__DenFunctional.html" shape="rect" coords="31,281,141,299">
<area href="class_sc__SavableState.html" shape="rect" coords="35,214,137,233">
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<center><font size="2">[<a href="graph_legend.html">legend</a>]</font></center>Collaboration diagram for sc::VWN1LCFunctional:<p><center><img src="class_sc__VWN1LCFunctional_coll_graph.gif" border="0" usemap="#sc::VWN1LCFunctional_coll_map" alt="Collaboration graph"></center>
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<area href="class_sc__VWNLCFunctional.html" shape="rect" coords="18,414,154,433">
<area href="class_sc__LSDACFunctional.html" shape="rect" coords="21,347,151,366">
<area href="class_sc__DenFunctional.html" shape="rect" coords="31,281,141,299">
<area href="class_sc__SavableState.html" shape="rect" coords="35,214,137,233">
<area href="class_sc__DescribedClass.html" shape="rect" coords="29,147,143,166">
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<center><font size="2">[<a href="graph_legend.html">legend</a>]</font></center><a href="class_sc__VWN1LCFunctional-members.html">List of all members.</a><table border=0 cellpadding=0 cellspacing=0>
<tr><td colspan=2><br><h2>Public Methods</h2></td></tr>
<tr><td nowrap align=right valign=top><a name="a0" doxytag="sc::VWN1LCFunctional::VWN1LCFunctional"></a>
</td><td valign=bottom><a class="el" href="class_sc__VWN1LCFunctional.html#a0">VWN1LCFunctional</a> ()</td></tr>
<tr><td> </td><td><font size=-1><em>Construct a VWN1 functional using Monte-Carlo parameters.</em></font><br><br></td></tr>
<tr><td nowrap align=right valign=top><a name="a1" doxytag="sc::VWN1LCFunctional::VWN1LCFunctional"></a>
</td><td valign=bottom><a class="el" href="class_sc__VWN1LCFunctional.html#a1">VWN1LCFunctional</a> (int use_rpa)</td></tr>
<tr><td> </td><td><font size=-1><em>Construct a VWN1 functional using the RPA parameters.</em></font><br><br></td></tr>
<tr><td nowrap align=right valign=top> </td><td valign=bottom><a class="el" href="class_sc__VWN1LCFunctional.html#a2">VWN1LCFunctional</a> (const <a class="el" href="class_sc__Ref.html">Ref</a>< <a class="el" href="class_sc__KeyVal.html">KeyVal</a> > &)</td></tr>
<tr><td> </td><td><font size=-1><em>Construct a VWN1 functional using the Monte-Carlo parameters by default.</em> <a href="#a2">More...</a><em></em></font><br><br></td></tr>
<tr><td nowrap align=right valign=top><a name="a3" doxytag="sc::VWN1LCFunctional::VWN1LCFunctional"></a>
</td><td valign=bottom><b>VWN1LCFunctional</b> (<a class="el" href="class_sc__StateIn.html">StateIn</a> &)</td></tr>
<tr><td nowrap align=right valign=top><a name="a4" doxytag="sc::VWN1LCFunctional::~VWN1LCFunctional"></a>
</td><td valign=bottom><b>~VWN1LCFunctional</b> ()</td></tr>
<tr><td nowrap align=right valign=top>void </td><td valign=bottom><a class="el" href="class_sc__VWN1LCFunctional.html#a5">save_data_state</a> (<a class="el" href="class_sc__StateOut.html">StateOut</a> &)</td></tr>
<tr><td> </td><td><font size=-1><em>Save the base classes (with save_data_state) and the members in the same order that the <a class="el" href="class_sc__StateIn.html">StateIn</a> CTOR initializes them.</em> <a href="#a5">More...</a><em></em></font><br><br></td></tr>
<tr><td nowrap align=right valign=top><a name="a6" doxytag="sc::VWN1LCFunctional::point_lc"></a>
void </td><td valign=bottom><b>point_lc</b> (const <a class="el" href="struct_sc__PointInputData.html">PointInputData</a> &, <a class="el" href="struct_sc__PointOutputData.html">PointOutputData</a> &, double &, double &, double &)</td></tr>
<tr><td colspan=2><br><h2>Protected Attributes</h2></td></tr>
<tr><td nowrap align=right valign=top><a name="n0" doxytag="sc::VWN1LCFunctional::x0p_"></a>
double </td><td valign=bottom><b>x0p_</b></td></tr>
<tr><td nowrap align=right valign=top><a name="n1" doxytag="sc::VWN1LCFunctional::bp_"></a>
double </td><td valign=bottom><b>bp_</b></td></tr>
<tr><td nowrap align=right valign=top><a name="n2" doxytag="sc::VWN1LCFunctional::cp_"></a>
double </td><td valign=bottom><b>cp_</b></td></tr>
<tr><td nowrap align=right valign=top><a name="n3" doxytag="sc::VWN1LCFunctional::x0f_"></a>
double </td><td valign=bottom><b>x0f_</b></td></tr>
<tr><td nowrap align=right valign=top><a name="n4" doxytag="sc::VWN1LCFunctional::bf_"></a>
double </td><td valign=bottom><b>bf_</b></td></tr>
<tr><td nowrap align=right valign=top><a name="n5" doxytag="sc::VWN1LCFunctional::cf_"></a>
double </td><td 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="class_sc__VWN1LCFunctional.html">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 name="a2" doxytag="sc::VWN1LCFunctional::VWN1LCFunctional"></a><p>
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sc::VWN1LCFunctional::VWN1LCFunctional (
</b></td>
<td valign="bottom"><b>
const <a class="el" href="class_sc__Ref.html">Ref</a>< <a class="el" href="class_sc__KeyVal.html">KeyVal</a> > & )
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<p>
Construct a VWN1 functional using the Monte-Carlo parameters by default.
<p>
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. </td>
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<hr><h2>Member Function Documentation</h2>
<a name="a5" doxytag="sc::VWN1LCFunctional::save_data_state"></a><p>
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void sc::VWN1LCFunctional::save_data_state (
</b></td>
<td valign="bottom"><b>
<a class="el" href="class_sc__StateOut.html">StateOut</a> & <em>s</em> )<code> [virtual]</code>
</b></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="class_sc__StateIn.html">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="class_sc__VWNLCFunctional.html#a4">sc::VWNLCFunctional</a>. </td>
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<hr>The documentation for this class was generated from the following file:<ul>
<li><a class="el" href="functional_h-source.html">functional.h</a></ul>
<hr>
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