<!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::HSOSHF 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_1HSOSHF.html">HSOSHF</a> </div> </div> <div class="contents"> <h1>sc::HSOSHF Class Reference</h1><!-- doxytag: class="sc::HSOSHF" --><!-- doxytag: inherits="sc::HSOSSCF" --><a class="el" href="classsc_1_1HSOSHF.html" title="HSOSHF is a Hartree-Fock specialization of HSOSSCF.">HSOSHF</a> is a Hartree-Fock specialization of <a class="el" href="classsc_1_1HSOSSCF.html" title="The HSOSSCF class is a base for classes implementing a self-consistent procedure...">HSOSSCF</a>. <a href="#_details">More...</a> <p> <code>#include <<a class="el" href="hsoshf_8h_source.html">hsoshf.h</a>></code> <p> <div class="dynheader"> Inheritance diagram for sc::HSOSHF:</div> <div class="dynsection"> <p><center><img src="classsc_1_1HSOSHF.png" usemap="#sc::HSOSHF_map" border="0" alt=""></center> <map name="sc::HSOSHF_map"> <area href="classsc_1_1HSOSSCF.html" alt="sc::HSOSSCF" shape="rect" coords="85,504,246,528"> <area href="classsc_1_1SCF.html" alt="sc::SCF" shape="rect" coords="85,448,246,472"> <area href="classsc_1_1OneBodyWavefunction.html" alt="sc::OneBodyWavefunction" shape="rect" coords="85,392,246,416"> <area href="classsc_1_1Wavefunction.html" alt="sc::Wavefunction" shape="rect" coords="85,336,246,360"> <area href="classsc_1_1MolecularEnergy.html" alt="sc::MolecularEnergy" shape="rect" coords="85,280,246,304"> <area href="classsc_1_1Function.html" alt="sc::Function" shape="rect" coords="85,224,246,248"> <area href="classsc_1_1SavableState.html" alt="sc::SavableState" shape="rect" coords="0,168,161,192"> <area href="classsc_1_1Compute.html" alt="sc::Compute" shape="rect" coords="171,168,332,192"> <area href="classsc_1_1DescribedClass.html" alt="sc::DescribedClass" shape="rect" coords="0,112,161,136"> <area href="classsc_1_1RefCount.html" alt="sc::RefCount" shape="rect" coords="0,56,161,80"> <area href="classsc_1_1Identity.html" alt="sc::Identity" shape="rect" coords="0,0,161,24"> </map> </div> <p> <a href="classsc_1_1HSOSHF-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="7f31feab43bfc64b4514b51e6204f0c8"></a><!-- doxytag: member="sc::HSOSHF::HSOSHF" ref="7f31feab43bfc64b4514b51e6204f0c8" args="(StateIn &)" --> </td><td class="memItemRight" valign="bottom"><b>HSOSHF</b> (<a class="el" href="classsc_1_1StateIn.html">StateIn</a> &)</td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="98ce437f165793ad80fd08dcb98e0932"></a><!-- doxytag: member="sc::HSOSHF::HSOSHF" ref="98ce437f165793ad80fd08dcb98e0932" args="(const Ref< KeyVal > &)" --> </td><td class="memItemRight" valign="bottom"><b>HSOSHF</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">void </td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1HSOSHF.html#93ad9532bd65a5f099e6018af63943f5">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="#93ad9532bd65a5f099e6018af63943f5"></a><br></td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="5384c580e81b4757895aa19ed3d76b12"></a><!-- doxytag: member="sc::HSOSHF::print" ref="5384c580e81b4757895aa19ed3d76b12" args="(std::ostream &o=ExEnv::out0()) const " --> void </td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1HSOSHF.html#5384c580e81b4757895aa19ed3d76b12">print</a> (std::ostream &o=ExEnv::out0()) const </td></tr> <tr><td class="mdescLeft"> </td><td class="mdescRight">Print information about the object. <br></td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="0e7ff122c0253a4ca6c1b1243e6b4871"></a><!-- doxytag: member="sc::HSOSHF::two_body_energy" ref="0e7ff122c0253a4ca6c1b1243e6b4871" args="(double &ec, double &ex)" --> void </td><td class="memItemRight" valign="bottom"><b>two_body_energy</b> (double &ec, double &ex)</td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top">int </td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1HSOSHF.html#41e05e4405958c853dab399d5bd838ee">value_implemented</a> () const </td></tr> <tr><td class="mdescLeft"> </td><td class="mdescRight">Information about the availability of values, gradients, and hessians. <a href="#41e05e4405958c853dab399d5bd838ee"></a><br></td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="ccb9165616093ee370934053bea48444"></a><!-- doxytag: member="sc::HSOSHF::gradient_implemented" ref="ccb9165616093ee370934053bea48444" args="() const " --> int </td><td class="memItemRight" valign="bottom"><b>gradient_implemented</b> () const </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="8fe3f6dd44063006e166bc5b06b70169"></a><!-- doxytag: member="sc::HSOSHF::ao_fock" ref="8fe3f6dd44063006e166bc5b06b70169" args="(double accuracy)" --> void </td><td class="memItemRight" valign="bottom"><b>ao_fock</b> (double accuracy)</td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="f9525531742709a23ae2ec7b1bc8984a"></a><!-- doxytag: member="sc::HSOSHF::two_body_deriv" ref="f9525531742709a23ae2ec7b1bc8984a" args="(double *)" --> void </td><td class="memItemRight" valign="bottom"><b>two_body_deriv</b> (double *)</td></tr> </table> <hr><a name="_details"></a><h2>Detailed Description</h2> <a class="el" href="classsc_1_1HSOSHF.html" title="HSOSHF is a Hartree-Fock specialization of HSOSSCF.">HSOSHF</a> is a Hartree-Fock specialization of <a class="el" href="classsc_1_1HSOSSCF.html" title="The HSOSSCF class is a base for classes implementing a self-consistent procedure...">HSOSSCF</a>. <hr><h2>Member Function Documentation</h2> <a class="anchor" name="93ad9532bd65a5f099e6018af63943f5"></a><!-- doxytag: member="sc::HSOSHF::save_data_state" ref="93ad9532bd65a5f099e6018af63943f5" args="(StateOut &)" --> <div class="memitem"> <div class="memproto"> <table class="memname"> <tr> <td class="memname">void sc::HSOSHF::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_1HSOSSCF.html#e8e0badd4f65c1bc1fc269f38afc2065">sc::HSOSSCF</a>.</p> </div> </div><p> <a class="anchor" name="41e05e4405958c853dab399d5bd838ee"></a><!-- doxytag: member="sc::HSOSHF::value_implemented" ref="41e05e4405958c853dab399d5bd838ee" args="() const " --> <div class="memitem"> <div class="memproto"> <table class="memname"> <tr> <td class="memname">int sc::HSOSHF::value_implemented </td> <td>(</td> <td class="paramname"> </td> <td> ) </td> <td> const<code> [virtual]</code></td> </tr> </table> </div> <div class="memdoc"> <p> Information about the availability of values, gradients, and hessians. <p> <p>Reimplemented from <a class="el" href="classsc_1_1Function.html#54f1ed14490ca8bc4658989d6a78c1dc">sc::Function</a>.</p> </div> </div><p> <hr>The documentation for this class was generated from the following file:<ul> <li><a class="el" href="hsoshf_8h_source.html">hsoshf.h</a></ul> </div> <hr> <address> <small> Generated at Wed Oct 14 14:12:15 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>