<!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::PsiSCF 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 14:17:26 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::PsiSCF Class Reference</h1><a class="el" href="class_sc__PsiSCF.html">PsiSCF</a> is an abstract base for all Psi <a class="el" href="class_sc__SCF.html">SCF</a> wave functions.
<a href="#_details">More...</a>
<p>
<code>#include <<a class="el" href="psiwfn_h-source.html">psiwfn.h</a>></code>
<p>
Inheritance diagram for sc::PsiSCF<p><center><img src="class_sc__PsiSCF_inherit_graph.gif" border="0" usemap="#sc::PsiSCF_inherit_map" alt="Inheritance graph"></center>
<map name="sc::PsiSCF_inherit_map">
<area href="class_sc__PsiCLHF.html" shape="rect" coords="14,614,97,632">
<area href="class_sc__PsiHSOSHF.html" shape="rect" coords="121,614,219,632">
<area href="class_sc__PsiUHF.html" shape="rect" coords="243,614,318,632">
<area href="class_sc__PsiWavefunction.html" shape="rect" coords="109,480,231,499">
<area href="class_sc__Wavefunction.html" shape="rect" coords="117,414,223,432">
<area href="class_sc__MolecularEnergy.html" shape="rect" coords="107,347,233,366">
<area href="class_sc__Function.html" shape="rect" coords="130,280,210,299">
<area href="class_sc__SavableState.html" shape="rect" coords="62,214,163,232">
<area href="class_sc__DescribedClass.html" shape="rect" coords="55,147,170,166">
<area href="class_sc__RefCount.html" shape="rect" coords="71,80,154,99">
<area href="class_sc__Identity.html" shape="rect" coords="77,14,149,32">
<area href="class_sc__Compute.html" shape="rect" coords="187,214,267,232">
</map>
<center><font size="2">[<a href="graph_legend.html">legend</a>]</font></center>Collaboration diagram for sc::PsiSCF:<p><center><img src="class_sc__PsiSCF_coll_graph.gif" border="0" usemap="#sc::PsiSCF_coll_map" alt="Collaboration graph"></center>
<map name="sc::PsiSCF_coll_map">
<area href="class_sc__PsiWavefunction.html" shape="rect" coords="611,293,734,312">
<area href="class_sc__Wavefunction.html" shape="rect" coords="439,224,546,243">
<area href="class_sc__MolecularEnergy.html" shape="rect" coords="14,111,139,129">
<area href="class_sc__RefSCDimension.html" shape="rect" coords="73,13,198,32">
<area href="class_sc__Ref.html" shape="rect" coords="435,111,550,129">
<area href="class_sc__RefBase.html" shape="rect" coords="522,13,599,32">
<area href="class_sc__Ref.html" shape="rect" coords="574,111,742,129">
<area href="class_sc__Ref.html" shape="rect" coords="270,111,411,129">
<area href="class_sc__Ref.html" shape="rect" coords="845,175,970,193">
<area href="class_sc__RefSCMatrix.html" shape="rect" coords="766,111,870,129">
</map>
<center><font size="2">[<a href="graph_legend.html">legend</a>]</font></center><a href="class_sc__PsiSCF-members.html">List of all members.</a><table border=0 cellpadding=0 cellspacing=0>
<tr><td colspan=2><br><h2>Public Types</h2></td></tr>
<tr><td nowrap align=right valign=top>enum </td><td valign=bottom><b>RefType</b> { <b>rhf</b>,
<b>hsoshf</b>,
<b>uhf</b>
}</td></tr>
<tr><td colspan=2><br><h2>Public Methods</h2></td></tr>
<tr><td nowrap align=right valign=top><a name="a0" doxytag="sc::PsiSCF::PsiSCF"></a>
</td><td valign=bottom><b>PsiSCF</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="a1" doxytag="sc::PsiSCF::PsiSCF"></a>
</td><td valign=bottom><b>PsiSCF</b> (<a class="el" href="class_sc__StateIn.html">StateIn</a> &)</td></tr>
<tr><td nowrap align=right valign=top><a name="a2" doxytag="sc::PsiSCF::~PsiSCF"></a>
</td><td valign=bottom><b>~PsiSCF</b> ()</td></tr>
<tr><td nowrap align=right valign=top>void </td><td valign=bottom><a class="el" href="class_sc__PsiSCF.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::PsiSCF::reftype"></a>
virtual PsiSCF::RefType </td><td valign=bottom><a class="el" href="class_sc__PsiSCF.html#a4">reftype</a> () const=0</td></tr>
<tr><td> </td><td><font size=-1><em>Returns the PsiSCF::RefType of this particular Psi <a class="el" href="class_sc__SCF.html">SCF</a> wave function.</em></font><br><br></td></tr>
</table>
<hr><a name="_details"></a><h2>Detailed Description</h2>
<a class="el" href="class_sc__PsiSCF.html">PsiSCF</a> is an abstract base for all Psi <a class="el" href="class_sc__SCF.html">SCF</a> wave functions.
<p>
<hr><h2>Member Function Documentation</h2>
<a name="a3" doxytag="sc::PsiSCF::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::PsiSCF::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__PsiWavefunction.html#a3">sc::PsiWavefunction</a>. </td>
</tr>
</table>
<hr>The documentation for this class was generated from the following file:<ul>
<li><a class="el" href="psiwfn_h-source.html">psiwfn.h</a></ul>
<hr>
<address>
<small>
Generated at Mon Oct 14 14:17:26 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>
distrib
>
Mandriva
>
9.1
>
ppc
>
media
>
contrib
>
by-pkgid
>
263386785cefb9ae5d63b926d214d809
>
files
>
504
