<!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 4.0 Transitional//EN"> <html><head><meta name="robots" content="noindex"> <meta http-equiv="Content-Type" content="text/html;charset=iso-8859-1"> <title>sc::CLHF class Reference</title> <link href="doxygen.css" rel="stylesheet" type="text/css"> </head><body bgcolor="#ffffff"> <!-- Generated by Doxygen 1.2.5 on Mon Oct 14 14:16:45 2002 --> <center> <a class="qindex" href="index.html">Main Page</a> <a class="qindex" href="hierarchy.html">Class Hierarchy</a> <a class="qindex" href="annotated.html">Compound List</a> <a class="qindex" href="files.html">File List</a> <a class="qindex" href="functions.html">Compound Members</a> <a class="qindex" href="pages.html">Related Pages</a> </center> <hr><h1>sc::CLHF Class Reference</h1><a class="el" href="class_sc__CLHF.html">CLHF</a> is a Hartree-Fock specialization of <a class="el" href="class_sc__CLSCF.html">CLSCF</a>. <a href="#_details">More...</a> <p> <code>#include <<a class="el" href="clhf_h-source.html">clhf.h</a>></code> <p> Inheritance diagram for sc::CLHF<p><center><img src="class_sc__CLHF_inherit_graph.gif" border="0" usemap="#sc::CLHF_inherit_map" alt="Inheritance graph"></center> <map name="sc::CLHF_inherit_map"> <area href="class_sc__CLSCF.html" shape="rect" coords="93,614,165,633"> <area href="class_sc__SCF.html" shape="rect" coords="101,547,157,566"> <area href="class_sc__OneBodyWavefunction.html" shape="rect" coords="50,481,207,499"> <area href="class_sc__Wavefunction.html" shape="rect" coords="75,414,182,433"> <area href="class_sc__MolecularEnergy.html" shape="rect" coords="66,347,191,366"> <area href="class_sc__Function.html" shape="rect" coords="89,281,169,299"> <area href="class_sc__SavableState.html" shape="rect" coords="21,214,122,233"> <area href="class_sc__DescribedClass.html" shape="rect" coords="14,147,129,166"> <area href="class_sc__RefCount.html" shape="rect" coords="30,81,113,99"> <area href="class_sc__Identity.html" shape="rect" coords="35,14,107,33"> <area href="class_sc__Compute.html" shape="rect" coords="146,214,226,233"> </map> <center><font size="2">[<a href="graph_legend.html">legend</a>]</font></center>Collaboration diagram for sc::CLHF:<p><center><img src="class_sc__CLHF_coll_graph.gif" border="0" usemap="#sc::CLHF_coll_map" alt="Collaboration graph"></center> <map name="sc::CLHF_coll_map"> <area href="class_sc__CLSCF.html" shape="rect" coords="141,208,213,227"> <area href="class_sc__SCF.html" shape="rect" coords="149,111,205,130"> <area href="class_sc__RefSymmSCMatrix.html" shape="rect" coords="18,14,157,32"> <area href="class_sc__Ref.html" shape="rect" coords="229,111,362,130"> </map> <center><font size="2">[<a href="graph_legend.html">legend</a>]</font></center><a href="class_sc__CLHF-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::CLHF::CLHF"></a> </td><td valign=bottom><b>CLHF</b> (<a class="el" href="class_sc__StateIn.html">StateIn</a> &)</td></tr> <tr><td nowrap align=right valign=top><a name="a1" doxytag="sc::CLHF::CLHF"></a> </td><td valign=bottom><b>CLHF</b> (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 nowrap align=right valign=top><a name="a2" doxytag="sc::CLHF::~CLHF"></a> </td><td valign=bottom><b>~CLHF</b> ()</td></tr> <tr><td nowrap align=right valign=top>void </td><td valign=bottom><a class="el" href="class_sc__CLHF.html#a3">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="#a3">More...</a><em></em></font><br><br></td></tr> <tr><td nowrap align=right valign=top><a name="a4" doxytag="sc::CLHF::print"></a> void </td><td valign=bottom><a class="el" href="class_sc__CLHF.html#a4">print</a> (std::ostream &o=ExEnv::out0()) const</td></tr> <tr><td> </td><td><font size=-1><em>Print information about the object.</em></font><br><br></td></tr> <tr><td nowrap align=right valign=top><a name="a5" doxytag="sc::CLHF::two_body_energy"></a> void </td><td valign=bottom><b>two_body_energy</b> (double &ec, double &ex)</td></tr> <tr><td nowrap align=right valign=top><a name="a6" doxytag="sc::CLHF::value_implemented"></a> int </td><td valign=bottom><a class="el" href="class_sc__CLHF.html#a6">value_implemented</a> () const</td></tr> <tr><td> </td><td><font size=-1><em>Information about the availability of values, gradients, and hessians.</em></font><br><br></td></tr> <tr><td nowrap align=right valign=top><a name="a7" doxytag="sc::CLHF::gradient_implemented"></a> int </td><td valign=bottom><b>gradient_implemented</b> () const</td></tr> <tr><td colspan=2><br><h2>Protected Methods</h2></td></tr> <tr><td nowrap align=right valign=top><a name="b0" doxytag="sc::CLHF::ao_fock"></a> void </td><td valign=bottom><b>ao_fock</b> (double accuracy)</td></tr> <tr><td nowrap align=right valign=top><a name="b1" doxytag="sc::CLHF::two_body_deriv"></a> void </td><td valign=bottom><b>two_body_deriv</b> (double *)</td></tr> </table> <hr><a name="_details"></a><h2>Detailed Description</h2> <a class="el" href="class_sc__CLHF.html">CLHF</a> is a Hartree-Fock specialization of <a class="el" href="class_sc__CLSCF.html">CLSCF</a>. <p> <hr><h2>Member Function Documentation</h2> <a name="a3" doxytag="sc::CLHF::save_data_state"></a><p> <table width="100%" cellpadding="2" cellspacing="0" border="0"> <tr> <td class="md"> <table cellpadding="0" cellspacing="0" border="0"> <tr> <td nowrap valign="top"><b> void sc::CLHF::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> </tr> </table> </td> </tr> </table> <table cellspacing=5 cellpadding=0 border=0> <tr> <td> </td> <td> <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__CLSCF.html#a3">sc::CLSCF</a>. </td> </tr> </table> <hr>The documentation for this class was generated from the following file:<ul> <li><a class="el" href="clhf_h-source.html">clhf.h</a></ul> <hr> <address> <small> Generated at Mon Oct 14 14:16:46 2002 for <a href="http://aros.ca.sandia.gov/~cljanss/mpqc">MPQC</a> 2.1.2 using the documentation package <a href="http://www.stack.nl/~dimitri/doxygen/index.html">Doxygen</a> 1.2.5. </small> </address> </body> </html>