<!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::VWNLCFunctional 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_1VWNLCFunctional.html">VWNLCFunctional</a> </div> </div> <div class="contents"> <h1>sc::VWNLCFunctional Class Reference</h1><!-- doxytag: class="sc::VWNLCFunctional" --><!-- doxytag: inherits="sc::LSDACFunctional" -->An abstract base class from which the various VWN (Vosko, Wilk and Nusair) local correlation functional (1, 2, 3, 4, 5) classes are derived. <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::VWNLCFunctional:</div> <div class="dynsection"> <p><center><img src="classsc_1_1VWNLCFunctional.png" usemap="#sc::VWNLCFunctional_map" border="0" alt=""></center> <map name="sc::VWNLCFunctional_map"> <area href="classsc_1_1LSDACFunctional.html" alt="sc::LSDACFunctional" shape="rect" coords="304,280,446,304"> <area href="classsc_1_1DenFunctional.html" alt="sc::DenFunctional" shape="rect" coords="304,224,446,248"> <area href="classsc_1_1SavableState.html" alt="sc::SavableState" shape="rect" coords="304,168,446,192"> <area href="classsc_1_1DescribedClass.html" alt="sc::DescribedClass" shape="rect" coords="304,112,446,136"> <area href="classsc_1_1RefCount.html" alt="sc::RefCount" shape="rect" coords="304,56,446,80"> <area href="classsc_1_1Identity.html" alt="sc::Identity" shape="rect" coords="304,0,446,24"> <area href="classsc_1_1VWN1LCFunctional.html" alt="sc::VWN1LCFunctional" shape="rect" coords="0,392,142,416"> <area href="classsc_1_1VWN2LCFunctional.html" alt="sc::VWN2LCFunctional" shape="rect" coords="152,392,294,416"> <area href="classsc_1_1VWN3LCFunctional.html" alt="sc::VWN3LCFunctional" shape="rect" coords="304,392,446,416"> <area href="classsc_1_1VWN4LCFunctional.html" alt="sc::VWN4LCFunctional" shape="rect" coords="456,392,598,416"> <area href="classsc_1_1VWN5LCFunctional.html" alt="sc::VWN5LCFunctional" shape="rect" coords="608,392,750,416"> </map> </div> <p> <a href="classsc_1_1VWNLCFunctional-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="0200f51390f1c2014e384362fb8218b8"></a><!-- doxytag: member="sc::VWNLCFunctional::VWNLCFunctional" ref="0200f51390f1c2014e384362fb8218b8" args="(const Ref< KeyVal > &)" --> </td><td class="memItemRight" valign="bottom"><b>VWNLCFunctional</b> (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="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="ffc61ae65fe0be809981183ea5595f26"></a><!-- doxytag: member="sc::VWNLCFunctional::VWNLCFunctional" ref="ffc61ae65fe0be809981183ea5595f26" args="(StateIn &)" --> </td><td class="memItemRight" valign="bottom"><b>VWNLCFunctional</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_1VWNLCFunctional.html#b7c7f6ecd557dc398db1600a5ee1c948">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="#b7c7f6ecd557dc398db1600a5ee1c948"></a><br></td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="83c3450f0c2248badcb4a69f6415a7cc"></a><!-- doxytag: member="sc::VWNLCFunctional::point_lc" ref="83c3450f0c2248badcb4a69f6415a7cc" args="(const PointInputData &, PointOutputData &, double &, double &, double &)" --> virtual 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 Member Functions</h2></td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="a41e36d1d89c5f9cf3c95ba99d5ee666"></a><!-- doxytag: member="sc::VWNLCFunctional::init_constants" ref="a41e36d1d89c5f9cf3c95ba99d5ee666" args="()" --> void </td><td class="memItemRight" valign="bottom"><b>init_constants</b> ()</td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="000fec1b5c33d16245b969c88dc747a4"></a><!-- doxytag: member="sc::VWNLCFunctional::F" ref="000fec1b5c33d16245b969c88dc747a4" args="(double x, double A, double x0, double b, double c)" --> double </td><td class="memItemRight" valign="bottom"><b>F</b> (double x, double A, double x0, double b, double c)</td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="9e31425bc404e6accbf396ec613b0289"></a><!-- doxytag: member="sc::VWNLCFunctional::dFdr_s" ref="9e31425bc404e6accbf396ec613b0289" args="(double x, double A, double x0, double b, double c)" --> double </td><td class="memItemRight" valign="bottom"><b>dFdr_s</b> (double x, double A, double x0, double b, double c)</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="8f0c3f424b05b155005990decd50dd8e"></a><!-- doxytag: member="sc::VWNLCFunctional::Ap_" ref="8f0c3f424b05b155005990decd50dd8e" args="" --> double </td><td class="memItemRight" valign="bottom"><b>Ap_</b></td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="a5675034be6d8f582a140b60f96440d1"></a><!-- doxytag: member="sc::VWNLCFunctional::Af_" ref="a5675034be6d8f582a140b60f96440d1" args="" --> double </td><td class="memItemRight" valign="bottom"><b>Af_</b></td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="ebe751df2d0ab2fe0995ef79e56c5364"></a><!-- doxytag: member="sc::VWNLCFunctional::A_alpha_" ref="ebe751df2d0ab2fe0995ef79e56c5364" args="" --> double </td><td class="memItemRight" valign="bottom"><b>A_alpha_</b></td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="121ce921a5ec57bf2d502f8acfd12f18"></a><!-- doxytag: member="sc::VWNLCFunctional::x0p_mc_" ref="121ce921a5ec57bf2d502f8acfd12f18" args="" --> double </td><td class="memItemRight" valign="bottom"><b>x0p_mc_</b></td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="85e5b56a4fad4cc74f62a486c2c52d7a"></a><!-- doxytag: member="sc::VWNLCFunctional::bp_mc_" ref="85e5b56a4fad4cc74f62a486c2c52d7a" args="" --> double </td><td class="memItemRight" valign="bottom"><b>bp_mc_</b></td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="6c464e202d4418790f4ba0a4fc069832"></a><!-- doxytag: member="sc::VWNLCFunctional::cp_mc_" ref="6c464e202d4418790f4ba0a4fc069832" args="" --> double </td><td class="memItemRight" valign="bottom"><b>cp_mc_</b></td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="6560b7ea7636a71179abede77abc4214"></a><!-- doxytag: member="sc::VWNLCFunctional::x0f_mc_" ref="6560b7ea7636a71179abede77abc4214" args="" --> double </td><td class="memItemRight" valign="bottom"><b>x0f_mc_</b></td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="14b6e9e4547b9042c3beaaaa92639987"></a><!-- doxytag: member="sc::VWNLCFunctional::bf_mc_" ref="14b6e9e4547b9042c3beaaaa92639987" args="" --> double </td><td class="memItemRight" valign="bottom"><b>bf_mc_</b></td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="074d519e18e5614101b92105f1dd0349"></a><!-- doxytag: member="sc::VWNLCFunctional::cf_mc_" ref="074d519e18e5614101b92105f1dd0349" args="" --> double </td><td class="memItemRight" valign="bottom"><b>cf_mc_</b></td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="57335ea6aa9d12f62229dba470b88d94"></a><!-- doxytag: member="sc::VWNLCFunctional::x0p_rpa_" ref="57335ea6aa9d12f62229dba470b88d94" args="" --> double </td><td class="memItemRight" valign="bottom"><b>x0p_rpa_</b></td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="9b8276dd66e02657096288ac48f5fd60"></a><!-- doxytag: member="sc::VWNLCFunctional::bp_rpa_" ref="9b8276dd66e02657096288ac48f5fd60" args="" --> double </td><td class="memItemRight" valign="bottom"><b>bp_rpa_</b></td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="3f56f2cf0008e9d78667c6037e7da756"></a><!-- doxytag: member="sc::VWNLCFunctional::cp_rpa_" ref="3f56f2cf0008e9d78667c6037e7da756" args="" --> double </td><td class="memItemRight" valign="bottom"><b>cp_rpa_</b></td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="c792a6488396f778b277316a274d402d"></a><!-- doxytag: member="sc::VWNLCFunctional::x0f_rpa_" ref="c792a6488396f778b277316a274d402d" args="" --> double </td><td class="memItemRight" valign="bottom"><b>x0f_rpa_</b></td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="94df734fc28c68ed9438dee0d867ce5f"></a><!-- doxytag: member="sc::VWNLCFunctional::bf_rpa_" ref="94df734fc28c68ed9438dee0d867ce5f" args="" --> double </td><td class="memItemRight" valign="bottom"><b>bf_rpa_</b></td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="6933c7b4970aa6788b041c8a725f72aa"></a><!-- doxytag: member="sc::VWNLCFunctional::cf_rpa_" ref="6933c7b4970aa6788b041c8a725f72aa" args="" --> double </td><td class="memItemRight" valign="bottom"><b>cf_rpa_</b></td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="349d4e18ee936ffe1849a2ab008fec48"></a><!-- doxytag: member="sc::VWNLCFunctional::x0_alpha_mc_" ref="349d4e18ee936ffe1849a2ab008fec48" args="" --> double </td><td class="memItemRight" valign="bottom"><b>x0_alpha_mc_</b></td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="247a55c2413fc2faf420987a203579fa"></a><!-- doxytag: member="sc::VWNLCFunctional::b_alpha_mc_" ref="247a55c2413fc2faf420987a203579fa" args="" --> double </td><td class="memItemRight" valign="bottom"><b>b_alpha_mc_</b></td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="ab8c02fbba3aa37b47ce37a12bcc4199"></a><!-- doxytag: member="sc::VWNLCFunctional::c_alpha_mc_" ref="ab8c02fbba3aa37b47ce37a12bcc4199" args="" --> double </td><td class="memItemRight" valign="bottom"><b>c_alpha_mc_</b></td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="6e2fde6622aef706c376253e475482ed"></a><!-- doxytag: member="sc::VWNLCFunctional::x0_alpha_rpa_" ref="6e2fde6622aef706c376253e475482ed" args="" --> double </td><td class="memItemRight" valign="bottom"><b>x0_alpha_rpa_</b></td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="0d6a8f2e9f4c4e6e8d8388014fcd94a1"></a><!-- doxytag: member="sc::VWNLCFunctional::b_alpha_rpa_" ref="0d6a8f2e9f4c4e6e8d8388014fcd94a1" args="" --> double </td><td class="memItemRight" valign="bottom"><b>b_alpha_rpa_</b></td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="61283b9a2c5a132e8813104ad6b42405"></a><!-- doxytag: member="sc::VWNLCFunctional::c_alpha_rpa_" ref="61283b9a2c5a132e8813104ad6b42405" args="" --> double </td><td class="memItemRight" valign="bottom"><b>c_alpha_rpa_</b></td></tr> </table> <hr><a name="_details"></a><h2>Detailed Description</h2> An abstract base class from which the various VWN (Vosko, Wilk and Nusair) local correlation functional (1, 2, 3, 4, 5) classes are derived. <p> S. H. Vosko, L. Wilk, and M. Nusair, Can. J. Phys., 58, pp. 1200-1211, 1980. <hr><h2>Member Function Documentation</h2> <a class="anchor" name="b7c7f6ecd557dc398db1600a5ee1c948"></a><!-- doxytag: member="sc::VWNLCFunctional::save_data_state" ref="b7c7f6ecd557dc398db1600a5ee1c948" args="(StateOut &)" --> <div class="memitem"> <div class="memproto"> <table class="memname"> <tr> <td class="memname">void sc::VWNLCFunctional::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_1LSDACFunctional.html#86f430025c2c8b39ea51cc6648108a42">sc::LSDACFunctional</a>.</p> <p>Reimplemented in <a class="el" href="classsc_1_1VWN1LCFunctional.html#f97ae46540a066222dc31c4f5b31a17b">sc::VWN1LCFunctional</a>, <a class="el" href="classsc_1_1VWN2LCFunctional.html#899b57418817864f91143bcf844fb9de">sc::VWN2LCFunctional</a>, <a class="el" href="classsc_1_1VWN3LCFunctional.html#f334b58b771cf444974d52881fe7e81f">sc::VWN3LCFunctional</a>, <a class="el" href="classsc_1_1VWN4LCFunctional.html#4056315f4ca63deb0e5be7e89682f76b">sc::VWN4LCFunctional</a>, and <a class="el" href="classsc_1_1VWN5LCFunctional.html#d7d4ceb992b45f48b754409ce354f141">sc::VWN5LCFunctional</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>