Sophie

Sophie

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<a class="qindex" href="index.html">Main Page</a> &nbsp; <a class="qindex" href="hierarchy.html">Class Hierarchy</a> &nbsp; <a class="qindex" href="annotated.html">Compound List</a> &nbsp; <a class="qindex" href="files.html">File List</a> &nbsp; <a class="qindex" href="functions.html">Compound Members</a> &nbsp; <a class="qindex" href="pages.html">Related Pages</a> &nbsp; </center>
<hr><h1>sc::HSOSHF  Class Reference</h1><a class="el" href="class_sc__HSOSHF.html">HSOSHF</a> is a Hartree-Fock specialization of <a class="el" href="class_sc__HSOSSCF.html">HSOSSCF</a>. 
<a href="#_details">More...</a>
<p>
<code>#include &lt;<a class="el" href="hsoshf_h-source.html">hsoshf.h</a>&gt;</code>
<p>
Inheritance diagram for sc::HSOSHF<p><center><img src="class_sc__HSOSHF_inherit_graph.gif" border="0" usemap="#sc::HSOSHF_inherit_map" alt="Inheritance graph"></center>
<map name="sc::HSOSHF_inherit_map">
<area href="class_sc__HSOSSCF.html" shape="rect" coords="85,614,173,633">
<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">
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<area href="class_sc__Identity.html" shape="rect" coords="35,14,107,33">
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<center><font size="2">[<a href="graph_legend.html">legend</a>]</font></center>Collaboration diagram for sc::HSOSHF:<p><center><img src="class_sc__HSOSHF_coll_graph.gif" border="0" usemap="#sc::HSOSHF_coll_map" alt="Collaboration graph"></center>
<map name="sc::HSOSHF_coll_map">
<area href="class_sc__HSOSSCF.html" shape="rect" coords="137,272,225,291">
<area href="class_sc__SCF.html" shape="rect" coords="153,143,209,162">
<area href="class_sc__RefSymmSCMatrix.html" shape="rect" coords="19,14,158,32">
<area href="class_sc__Ref.html" shape="rect" coords="233,143,366,162">
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<center><font size="2">[<a href="graph_legend.html">legend</a>]</font></center><a href="class_sc__HSOSHF-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::HSOSHF::HSOSHF"></a>
&nbsp;</td><td valign=bottom><b>HSOSHF</b> (<a class="el" href="class_sc__StateIn.html">StateIn</a> &amp;)</td></tr>
<tr><td nowrap align=right valign=top><a name="a1" doxytag="sc::HSOSHF::HSOSHF"></a>
&nbsp;</td><td valign=bottom><b>HSOSHF</b> (const <a class="el" href="class_sc__Ref.html">Ref</a>&lt; <a class="el" href="class_sc__KeyVal.html">KeyVal</a> &gt; &amp;)</td></tr>
<tr><td nowrap align=right valign=top><a name="a2" doxytag="sc::HSOSHF::~HSOSHF"></a>
&nbsp;</td><td valign=bottom><b>~HSOSHF</b> ()</td></tr>
<tr><td nowrap align=right valign=top>void&nbsp;</td><td valign=bottom><a class="el" href="class_sc__HSOSHF.html#a3">save_data_state</a> (<a class="el" href="class_sc__StateOut.html">StateOut</a> &amp;)</td></tr>
<tr><td>&nbsp;</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::HSOSHF::print"></a>
void&nbsp;</td><td valign=bottom><a class="el" href="class_sc__HSOSHF.html#a4">print</a> (std::ostream &amp;o=ExEnv::out0()) const</td></tr>
<tr><td>&nbsp;</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::HSOSHF::two_body_energy"></a>
void&nbsp;</td><td valign=bottom><b>two_body_energy</b> (double &amp;ec, double &amp;ex)</td></tr>
<tr><td nowrap align=right valign=top><a name="a6" doxytag="sc::HSOSHF::value_implemented"></a>
int&nbsp;</td><td valign=bottom><a class="el" href="class_sc__HSOSHF.html#a6">value_implemented</a> () const</td></tr>
<tr><td>&nbsp;</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::HSOSHF::gradient_implemented"></a>
int&nbsp;</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::HSOSHF::ao_fock"></a>
void&nbsp;</td><td valign=bottom><b>ao_fock</b> (double accuracy)</td></tr>
<tr><td nowrap align=right valign=top><a name="b1" doxytag="sc::HSOSHF::two_body_deriv"></a>
void&nbsp;</td><td valign=bottom><b>two_body_deriv</b> (double *)</td></tr>
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<hr><a name="_details"></a><h2>Detailed Description</h2>
<a class="el" href="class_sc__HSOSHF.html">HSOSHF</a> is a Hartree-Fock specialization of <a class="el" href="class_sc__HSOSSCF.html">HSOSSCF</a>.
<p>
<hr><h2>Member Function Documentation</h2>
<a name="a3" doxytag="sc::HSOSHF::save_data_state"></a><p>
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void sc::HSOSHF::save_data_state (
          </b></td>
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<a class="el" href="class_sc__StateOut.html">StateOut</a> &amp; <em>s</em>&nbsp;)<code> [virtual]</code>
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<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__HSOSSCF.html#a3">sc::HSOSSCF</a>.    </td>
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<hr>The documentation for this class was generated from the following file:<ul>
<li><a class="el" href="hsoshf_h-source.html">hsoshf.h</a></ul>
<hr>
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