<!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::TwoBodyIntV3 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_1TwoBodyIntV3.html">TwoBodyIntV3</a> </div> </div> <div class="contents"> <h1>sc::TwoBodyIntV3 Class Reference</h1><!-- doxytag: class="sc::TwoBodyIntV3" --><!-- doxytag: inherits="sc::TwoBodyInt" -->This implements electron repulsion integrals in the IntV3 library. <a href="#_details">More...</a> <p> <code>#include <<a class="el" href="tbintv3_8h_source.html">tbintv3.h</a>></code> <p> <div class="dynheader"> Inheritance diagram for sc::TwoBodyIntV3:</div> <div class="dynsection"> <p><center><img src="classsc_1_1TwoBodyIntV3.png" usemap="#sc::TwoBodyIntV3_map" border="0" alt=""></center> <map name="sc::TwoBodyIntV3_map"> <area href="classsc_1_1TwoBodyInt.html" alt="sc::TwoBodyInt" shape="rect" coords="0,112,112,136"> <area href="classsc_1_1RefCount.html" alt="sc::RefCount" shape="rect" coords="0,56,112,80"> <area href="classsc_1_1Identity.html" alt="sc::Identity" shape="rect" coords="0,0,112,24"> </map> </div> <p> <a href="classsc_1_1TwoBodyIntV3-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="30c640436bffcd2b0b40916cc4a40fca"></a><!-- doxytag: member="sc::TwoBodyIntV3::TwoBodyIntV3" ref="30c640436bffcd2b0b40916cc4a40fca" args="(Integral *integral, const Ref< GaussianBasisSet > &b1, const Ref< GaussianBasisSet > &b2, const Ref< GaussianBasisSet > &b3, const Ref< GaussianBasisSet > &b4, size_t storage)" --> </td><td class="memItemRight" valign="bottom"><b>TwoBodyIntV3</b> (<a class="el" href="classsc_1_1Integral.html">Integral</a> *integral, const <a class="el" href="classsc_1_1Ref.html">Ref</a>< <a class="el" href="classsc_1_1GaussianBasisSet.html">GaussianBasisSet</a> > &b1, const <a class="el" href="classsc_1_1Ref.html">Ref</a>< <a class="el" href="classsc_1_1GaussianBasisSet.html">GaussianBasisSet</a> > &b2, const <a class="el" href="classsc_1_1Ref.html">Ref</a>< <a class="el" href="classsc_1_1GaussianBasisSet.html">GaussianBasisSet</a> > &b3, const <a class="el" href="classsc_1_1Ref.html">Ref</a>< <a class="el" href="classsc_1_1GaussianBasisSet.html">GaussianBasisSet</a> > &b4, size_t storage)</td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top">int </td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1TwoBodyIntV3.html#5d1af04de0db81358c8cbd9e3f033e73">log2_shell_bound</a> (int, int, int, int)</td></tr> <tr><td class="mdescLeft"> </td><td class="mdescRight">Return log base 2 of the maximum magnitude of any integral in a shell block obtained from compute_shell. <a href="#5d1af04de0db81358c8cbd9e3f033e73"></a><br></td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1TwoBodyIntV3.html#f51ab7eb3ef22b2b75350adac2ebeceb">compute_shell</a> (int, int, int, int)</td></tr> <tr><td class="mdescLeft"> </td><td class="mdescRight">Given four shell indices, integrals will be computed and placed in the buffer. <a href="#f51ab7eb3ef22b2b75350adac2ebeceb"></a><br></td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="6de85561cfe3872d2b1743ffa1ce6854"></a><!-- doxytag: member="sc::TwoBodyIntV3::storage_used" ref="6de85561cfe3872d2b1743ffa1ce6854" args="()" --> size_t </td><td class="memItemRight" valign="bottom"><b>storage_used</b> ()</td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="0eab862e18f5723ad0a80cbc980c7cf2"></a><!-- doxytag: member="sc::TwoBodyIntV3::set_integral_storage" ref="0eab862e18f5723ad0a80cbc980c7cf2" args="(size_t storage)" --> void </td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1TwoBodyIntV3.html#0eab862e18f5723ad0a80cbc980c7cf2">set_integral_storage</a> (size_t storage)</td></tr> <tr><td class="mdescLeft"> </td><td class="mdescRight">This storage is used to cache computed integrals. <br></td></tr> <tr><td colspan="2"><br><h2>Protected Attributes</h2></td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="969ef759b7dc08d8908b7ce62599ccfc"></a><!-- doxytag: member="sc::TwoBodyIntV3::int2ev3_" ref="969ef759b7dc08d8908b7ce62599ccfc" args="" --> <a class="el" href="classsc_1_1Ref.html">Ref</a>< <a class="el" href="classsc_1_1Int2eV3.html">Int2eV3</a> > </td><td class="memItemRight" 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 class="anchor" name="f51ab7eb3ef22b2b75350adac2ebeceb"></a><!-- doxytag: member="sc::TwoBodyIntV3::compute_shell" ref="f51ab7eb3ef22b2b75350adac2ebeceb" args="(int, int, int, int)" --> <div class="memitem"> <div class="memproto"> <table class="memname"> <tr> <td class="memname">void sc::TwoBodyIntV3::compute_shell </td> <td>(</td> <td class="paramtype">int </td> <td class="paramname">, </td> </tr> <tr> <td class="paramkey"></td> <td></td> <td class="paramtype">int </td> <td class="paramname">, </td> </tr> <tr> <td class="paramkey"></td> <td></td> <td class="paramtype">int </td> <td class="paramname">, </td> </tr> <tr> <td class="paramkey"></td> <td></td> <td class="paramtype">int </td> <td class="paramname"></td><td> </td> </tr> <tr> <td></td> <td>)</td> <td></td><td></td><td><code> [virtual]</code></td> </tr> </table> </div> <div class="memdoc"> <p> Given four shell indices, integrals will be computed and placed in the buffer. <p> The first two indices correspond to electron 1 and the second two indices correspond to electron 2. <p>Implements <a class="el" href="classsc_1_1TwoBodyInt.html#8d1110a67d7886e6251a5d8158f603ed">sc::TwoBodyInt</a>.</p> </div> </div><p> <a class="anchor" name="5d1af04de0db81358c8cbd9e3f033e73"></a><!-- doxytag: member="sc::TwoBodyIntV3::log2_shell_bound" ref="5d1af04de0db81358c8cbd9e3f033e73" args="(int, int, int, int)" --> <div class="memitem"> <div class="memproto"> <table class="memname"> <tr> <td class="memname">int sc::TwoBodyIntV3::log2_shell_bound </td> <td>(</td> <td class="paramtype">int </td> <td class="paramname">, </td> </tr> <tr> <td class="paramkey"></td> <td></td> <td class="paramtype">int </td> <td class="paramname">, </td> </tr> <tr> <td class="paramkey"></td> <td></td> <td class="paramtype">int </td> <td class="paramname">, </td> </tr> <tr> <td class="paramkey"></td> <td></td> <td class="paramtype">int </td> <td class="paramname"></td><td> </td> </tr> <tr> <td></td> <td>)</td> <td></td><td></td><td><code> [virtual]</code></td> </tr> </table> </div> <div class="memdoc"> <p> Return log base 2 of the maximum magnitude of any integral in a shell block obtained from compute_shell. <p> An index of -1 for any argument indicates any shell. <p>Implements <a class="el" href="classsc_1_1TwoBodyInt.html#31e5b92b6c787ab65e76399eaae50389">sc::TwoBodyInt</a>.</p> </div> </div><p> <hr>The documentation for this class was generated from the following file:<ul> <li><a class="el" href="tbintv3_8h_source.html">tbintv3.h</a></ul> </div> <hr> <address> <small> Generated at Wed Oct 14 14:12:14 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>