<!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 4.01 Transitional//EN"> <html><head><meta http-equiv="Content-Type" content="text/html;charset=UTF-8"> <title>MPQC: sc::VWN2LCFunctional Class Reference</title> <link href="tabs.css" rel="stylesheet" type="text/css"> <link href="doxygen.css" rel="stylesheet" type="text/css"> </head><body> <!-- Generated by Doxygen 1.5.9 --> <div class="navigation" id="top"> <div class="tabs"> <ul> <li><a href="index.html"><span>Main Page</span></a></li> <li><a href="pages.html"><span>Related Pages</span></a></li> <li class="current"><a href="annotated.html"><span>Classes</span></a></li> <li><a href="files.html"><span>Files</span></a></li> </ul> </div> <div class="tabs"> <ul> <li><a href="annotated.html"><span>Class List</span></a></li> <li><a href="hierarchy.html"><span>Class Hierarchy</span></a></li> <li><a href="functions.html"><span>Class Members</span></a></li> </ul> </div> <div class="navpath"><b>sc</b>::<a class="el" href="classsc_1_1VWN2LCFunctional.html">VWN2LCFunctional</a> </div> </div> <div class="contents"> <h1>sc::VWN2LCFunctional Class Reference</h1><!-- doxytag: class="sc::VWN2LCFunctional" --><!-- doxytag: inherits="sc::VWNLCFunctional" -->The <a class="el" href="classsc_1_1VWN2LCFunctional.html" title="The VWN2LCFunctional computes energies and densities using the VWN2 local correlation...">VWN2LCFunctional</a> computes energies and densities using the VWN2 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> <p> <div class="dynheader"> Inheritance diagram for sc::VWN2LCFunctional:</div> <div class="dynsection"> <p><center><img src="classsc_1_1VWN2LCFunctional.png" usemap="#sc::VWN2LCFunctional_map" border="0" alt=""></center> <map name="sc::VWN2LCFunctional_map"> <area href="classsc_1_1VWNLCFunctional.html" alt="sc::VWNLCFunctional" shape="rect" coords="0,336,142,360"> <area href="classsc_1_1LSDACFunctional.html" alt="sc::LSDACFunctional" shape="rect" coords="0,280,142,304"> <area href="classsc_1_1DenFunctional.html" alt="sc::DenFunctional" shape="rect" coords="0,224,142,248"> <area href="classsc_1_1SavableState.html" alt="sc::SavableState" shape="rect" coords="0,168,142,192"> <area href="classsc_1_1DescribedClass.html" alt="sc::DescribedClass" shape="rect" coords="0,112,142,136"> <area href="classsc_1_1RefCount.html" alt="sc::RefCount" shape="rect" coords="0,56,142,80"> <area href="classsc_1_1Identity.html" alt="sc::Identity" shape="rect" coords="0,0,142,24"> </map> </div> <p> <a href="classsc_1_1VWN2LCFunctional-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="6dc0fe1111e079cdee8b112b7ed0ce0c"></a><!-- doxytag: member="sc::VWN2LCFunctional::VWN2LCFunctional" ref="6dc0fe1111e079cdee8b112b7ed0ce0c" args="()" --> </td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1VWN2LCFunctional.html#6dc0fe1111e079cdee8b112b7ed0ce0c">VWN2LCFunctional</a> ()</td></tr> <tr><td class="mdescLeft"> </td><td class="mdescRight">Construct a VWN2 functional. <br></td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="4df34c50264fb00705a4536f7f607811"></a><!-- doxytag: member="sc::VWN2LCFunctional::VWN2LCFunctional" ref="4df34c50264fb00705a4536f7f607811" args="(const Ref< KeyVal > &)" --> </td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1VWN2LCFunctional.html#4df34c50264fb00705a4536f7f607811">VWN2LCFunctional</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 VWN2 functional. <br></td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="d2e77b3591d5469ffb91ddaf47ead54c"></a><!-- doxytag: member="sc::VWN2LCFunctional::VWN2LCFunctional" ref="d2e77b3591d5469ffb91ddaf47ead54c" args="(StateIn &)" --> </td><td class="memItemRight" valign="bottom"><b>VWN2LCFunctional</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_1VWN2LCFunctional.html#899b57418817864f91143bcf844fb9de">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="#899b57418817864f91143bcf844fb9de"></a><br></td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="f8b63e8a7dcc92a787997c890617d596"></a><!-- doxytag: member="sc::VWN2LCFunctional::point_lc" ref="f8b63e8a7dcc92a787997c890617d596" 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> </table> <hr><a name="_details"></a><h2>Detailed Description</h2> The <a class="el" href="classsc_1_1VWN2LCFunctional.html" title="The VWN2LCFunctional computes energies and densities using the VWN2 local correlation...">VWN2LCFunctional</a> computes energies and densities using the VWN2 local correlation term (from Vosko, Wilk, and Nusair). <p> <hr><h2>Member Function Documentation</h2> <a class="anchor" name="899b57418817864f91143bcf844fb9de"></a><!-- doxytag: member="sc::VWN2LCFunctional::save_data_state" ref="899b57418817864f91143bcf844fb9de" args="(StateOut &)" --> <div class="memitem"> <div class="memproto"> <table class="memname"> <tr> <td class="memname">void sc::VWN2LCFunctional::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> </tr> </table> </div> <div class="memdoc"> <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> </div> </div><p> <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> </div> <hr> <address> <small> Generated at Wed Oct 14 14:12:14 2009 for <a href="http://www.mpqc.org">MPQC</a> 2.3.1 using the documentation package <a href="http://www.doxygen.org">Doxygen</a> 1.5.9. </small> </address> </body> </html>