<!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::TwoBodyIntV3 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 14:18:01 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::TwoBodyIntV3 Class Reference</h1>This implements electron repulsion integrals in the IntV3 library. <a href="#_details">More...</a> <p> <code>#include <<a class="el" href="tbintv3_h-source.html">tbintv3.h</a>></code> <p> Inheritance diagram for sc::TwoBodyIntV3<p><center><img src="class_sc__TwoBodyIntV3_inherit_graph.gif" border="0" usemap="#sc::TwoBodyIntV3_inherit_map" alt="Inheritance graph"></center> <map name="sc::TwoBodyIntV3_inherit_map"> <area href="class_sc__TwoBodyInt.html" shape="rect" coords="22,147,121,166"> <area href="class_sc__RefCount.html" shape="rect" coords="30,80,113,99"> <area href="class_sc__Identity.html" shape="rect" coords="35,14,107,32"> </map> <center><font size="2">[<a href="graph_legend.html">legend</a>]</font></center>Collaboration diagram for sc::TwoBodyIntV3:<p><center><img src="class_sc__TwoBodyIntV3_coll_graph.gif" border="0" usemap="#sc::TwoBodyIntV3_coll_map" alt="Collaboration graph"></center> <map name="sc::TwoBodyIntV3_coll_map"> <area href="class_sc__TwoBodyInt.html" shape="rect" coords="331,480,430,499"> <area href="class_sc__RefCount.html" shape="rect" coords="402,83,485,102"> <area href="class_sc__DescribedClass.html" shape="rect" coords="45,152,159,171"> <area href="class_sc__Identity.html" shape="rect" coords="407,14,479,32"> <area href="class_sc__Ref.html" shape="rect" coords="353,222,521,240"> <area href="class_sc__Integral.html" shape="rect" coords="245,375,317,394"> <area href="class_sc__RefBase.html" shape="rect" coords="221,152,298,171"> <area href="class_sc__Ref.html" shape="rect" coords="190,222,329,240"> <area href="class_sc__Ref.html" shape="rect" coords="106,287,221,306"> <area href="class_sc__SavableState.html" shape="rect" coords="14,222,115,240"> </map> <center><font size="2">[<a href="graph_legend.html">legend</a>]</font></center><a href="class_sc__TwoBodyIntV3-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::TwoBodyIntV3::TwoBodyIntV3"></a> </td><td valign=bottom><b>TwoBodyIntV3</b> (<a class="el" href="class_sc__Integral.html">Integral</a> *integral, const <a class="el" href="class_sc__Ref.html">Ref</a>< <a class="el" href="class_sc__GaussianBasisSet.html">GaussianBasisSet</a> > &b1, const <a class="el" href="class_sc__Ref.html">Ref</a>< <a class="el" href="class_sc__GaussianBasisSet.html">GaussianBasisSet</a> > &b2, const <a class="el" href="class_sc__Ref.html">Ref</a>< <a class="el" href="class_sc__GaussianBasisSet.html">GaussianBasisSet</a> > &b3, const <a class="el" href="class_sc__Ref.html">Ref</a>< <a class="el" href="class_sc__GaussianBasisSet.html">GaussianBasisSet</a> > &b4, size_t storage)</td></tr> <tr><td nowrap align=right valign=top><a name="a1" doxytag="sc::TwoBodyIntV3::~TwoBodyIntV3"></a> </td><td valign=bottom><b>~TwoBodyIntV3</b> ()</td></tr> <tr><td nowrap align=right valign=top>int </td><td valign=bottom><a class="el" href="class_sc__TwoBodyIntV3.html#a2">log2_shell_bound</a> (int, int, int, int)</td></tr> <tr><td> </td><td><font size=-1><em>Return log base 2 of the maximum magnitude of any integral in a shell block.</em> <a href="#a2">More...</a><em></em></font><br><br></td></tr> <tr><td nowrap align=right valign=top><a name="a3" doxytag="sc::TwoBodyIntV3::compute_shell"></a> void </td><td valign=bottom><a class="el" href="class_sc__TwoBodyIntV3.html#a3">compute_shell</a> (int, int, int, int)</td></tr> <tr><td> </td><td><font size=-1><em>Given for shell indices, this will cause the integral buffer to be filled in.</em></font><br><br></td></tr> <tr><td nowrap align=right valign=top><a name="a4" doxytag="sc::TwoBodyIntV3::storage_used"></a> size_t </td><td valign=bottom><b>storage_used</b> ()</td></tr> <tr><td nowrap align=right valign=top><a name="a5" doxytag="sc::TwoBodyIntV3::set_integral_storage"></a> void </td><td valign=bottom><a class="el" href="class_sc__TwoBodyIntV3.html#a5">set_integral_storage</a> (size_t storage)</td></tr> <tr><td> </td><td><font size=-1><em>This storage is used to cache computed integrals.</em></font><br><br></td></tr> <tr><td colspan=2><br><h2>Protected Attributes</h2></td></tr> <tr><td nowrap align=right valign=top><a name="n0" doxytag="sc::TwoBodyIntV3::int2ev3_"></a> <a class="el" href="class_sc__Ref.html">Ref</a><<a class="el" href="class_sc__Int2eV3.html">Int2eV3</a>> </td><td valign=bottom><b>int2ev3_</b></td></tr> </table> <hr><a name="_details"></a><h2>Detailed Description</h2> This implements electron repulsion integrals in the IntV3 library. <p> <hr><h2>Member Function Documentation</h2> <a name="a2" doxytag="sc::TwoBodyIntV3::log2_shell_bound"></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> int sc::TwoBodyIntV3::log2_shell_bound ( </b></td> <td valign="bottom"><b> int, </b></td> </tr> <tr> <td></td> <td><b> int, </b></td> </tr> <tr> <td></td> <td><b> int, </b></td> </tr> <tr> <td></td> <td><b> int )<code> [virtual]</code> </b></td> </tr> </table> </td> </tr> </table> <table cellspacing=5 cellpadding=0 border=0> <tr> <td> </td> <td> <p> Return log base 2 of the maximum magnitude of any integral in a shell block. <p> An index of -1 for any argument indicates any shell. <p> Reimplemented from <a class="el" href="class_sc__TwoBodyInt.html#a18">sc::TwoBodyInt</a>. </td> </tr> </table> <hr>The documentation for this class was generated from the following file:<ul> <li><a class="el" href="tbintv3_h-source.html">tbintv3.h</a></ul> <hr> <address> <small> Generated at Mon Oct 14 14:18:02 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>