<!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::CLHF 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_1CLHF.html">CLHF</a> </div> </div> <div class="contents"> <h1>sc::CLHF Class Reference</h1><!-- doxytag: class="sc::CLHF" --><!-- doxytag: inherits="sc::CLSCF" --><a class="el" href="classsc_1_1CLHF.html" title="CLHF is a Hartree-Fock specialization of CLSCF.">CLHF</a> is a Hartree-Fock specialization of <a class="el" href="classsc_1_1CLSCF.html" title="The CLSCF class is a base for classes implementing a self-consistent procedure for...">CLSCF</a>. <a href="#_details">More...</a> <p> <code>#include <<a class="el" href="clhf_8h_source.html">clhf.h</a>></code> <p> <div class="dynheader"> Inheritance diagram for sc::CLHF:</div> <div class="dynsection"> <p><center><img src="classsc_1_1CLHF.png" usemap="#sc::CLHF_map" border="0" alt=""></center> <map name="sc::CLHF_map"> <area href="classsc_1_1CLSCF.html" alt="sc::CLSCF" 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_1CLHF-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="846f6b26264cff4adee90392c09d50a4"></a><!-- doxytag: member="sc::CLHF::CLHF" ref="846f6b26264cff4adee90392c09d50a4" args="(StateIn &)" --> </td><td class="memItemRight" valign="bottom"><b>CLHF</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="74c4b83555902d82efa3cd3db62da0b2"></a><!-- doxytag: member="sc::CLHF::CLHF" ref="74c4b83555902d82efa3cd3db62da0b2" args="(const Ref< KeyVal > &)" --> </td><td class="memItemRight" valign="bottom"><b>CLHF</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_1CLHF.html#026656bcfc805db12be4aab363e28ba3">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="#026656bcfc805db12be4aab363e28ba3"></a><br></td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="751659bd35e0bc848ccbb3dbe076e9d8"></a><!-- doxytag: member="sc::CLHF::print" ref="751659bd35e0bc848ccbb3dbe076e9d8" args="(std::ostream &o=ExEnv::out0()) const " --> void </td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1CLHF.html#751659bd35e0bc848ccbb3dbe076e9d8">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="28eb7261db12d45786817bfdcde380a1"></a><!-- doxytag: member="sc::CLHF::two_body_energy" ref="28eb7261db12d45786817bfdcde380a1" 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_1CLHF.html#b4cac1cfe9b5f13197100d99c8bf6c2e">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="#b4cac1cfe9b5f13197100d99c8bf6c2e"></a><br></td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="29a91abda4855ad54e080fbed7b13a6e"></a><!-- doxytag: member="sc::CLHF::gradient_implemented" ref="29a91abda4855ad54e080fbed7b13a6e" 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="3ff910c6ca3467b0a49395ca0610ae73"></a><!-- doxytag: member="sc::CLHF::ao_fock" ref="3ff910c6ca3467b0a49395ca0610ae73" 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="c21ff8f9b152d0bfcb684a5f99878f8b"></a><!-- doxytag: member="sc::CLHF::two_body_deriv" ref="c21ff8f9b152d0bfcb684a5f99878f8b" 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_1CLHF.html" title="CLHF is a Hartree-Fock specialization of CLSCF.">CLHF</a> is a Hartree-Fock specialization of <a class="el" href="classsc_1_1CLSCF.html" title="The CLSCF class is a base for classes implementing a self-consistent procedure for...">CLSCF</a>. <hr><h2>Member Function Documentation</h2> <a class="anchor" name="026656bcfc805db12be4aab363e28ba3"></a><!-- doxytag: member="sc::CLHF::save_data_state" ref="026656bcfc805db12be4aab363e28ba3" args="(StateOut &)" --> <div class="memitem"> <div class="memproto"> <table class="memname"> <tr> <td class="memname">void sc::CLHF::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_1CLSCF.html#3b61717415569b103548a6d68bb36086">sc::CLSCF</a>.</p> </div> </div><p> <a class="anchor" name="b4cac1cfe9b5f13197100d99c8bf6c2e"></a><!-- doxytag: member="sc::CLHF::value_implemented" ref="b4cac1cfe9b5f13197100d99c8bf6c2e" args="() const " --> <div class="memitem"> <div class="memproto"> <table class="memname"> <tr> <td class="memname">int sc::CLHF::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="clhf_8h_source.html">clhf.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>