<!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::TwoBodyTwoCenterIntV3 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_1TwoBodyTwoCenterIntV3.html">TwoBodyTwoCenterIntV3</a>
</div>
</div>
<div class="contents">
<h1>sc::TwoBodyTwoCenterIntV3 Class Reference</h1><!-- doxytag: class="sc::TwoBodyTwoCenterIntV3" --><!-- doxytag: inherits="sc::TwoBodyTwoCenterInt" -->This implements electron repulsion integrals involving two centers 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::TwoBodyTwoCenterIntV3:</div>
<div class="dynsection">
<p><center><img src="classsc_1_1TwoBodyTwoCenterIntV3.png" usemap="#sc::TwoBodyTwoCenterIntV3_map" border="0" alt=""></center>
<map name="sc::TwoBodyTwoCenterIntV3_map">
<area href="classsc_1_1TwoBodyTwoCenterInt.html" alt="sc::TwoBodyTwoCenterInt" shape="rect" coords="0,112,173,136">
<area href="classsc_1_1RefCount.html" alt="sc::RefCount" shape="rect" coords="0,56,173,80">
<area href="classsc_1_1Identity.html" alt="sc::Identity" shape="rect" coords="0,0,173,24">
</map>
</div>
<p>
<a href="classsc_1_1TwoBodyTwoCenterIntV3-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="a9880bd794833ee9c048315f72c7078c"></a><!-- doxytag: member="sc::TwoBodyTwoCenterIntV3::TwoBodyTwoCenterIntV3" ref="a9880bd794833ee9c048315f72c7078c" args="(Integral *integral, const Ref< GaussianBasisSet > &b1, const Ref< GaussianBasisSet > &b2, size_t storage)" -->
</td><td class="memItemRight" valign="bottom"><b>TwoBodyTwoCenterIntV3</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, 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_1TwoBodyTwoCenterIntV3.html#85c6b0a32af3fcf133a84eb86bb322db">log2_shell_bound</a> (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="#85c6b0a32af3fcf133a84eb86bb322db"></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_1TwoBodyTwoCenterIntV3.html#2a1e6659a32c69e3e7f9082d44630735">compute_shell</a> (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="#2a1e6659a32c69e3e7f9082d44630735"></a><br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="3ee35c4d6562a71505a6621032c5928c"></a><!-- doxytag: member="sc::TwoBodyTwoCenterIntV3::storage_used" ref="3ee35c4d6562a71505a6621032c5928c" 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="189a9d9610ea17da9ed20a389f58cdfe"></a><!-- doxytag: member="sc::TwoBodyTwoCenterIntV3::set_integral_storage" ref="189a9d9610ea17da9ed20a389f58cdfe" args="(size_t storage)" -->
void </td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1TwoBodyTwoCenterIntV3.html#189a9d9610ea17da9ed20a389f58cdfe">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="f92ea931e8b26371b5a0625baf51ed91"></a><!-- doxytag: member="sc::TwoBodyTwoCenterIntV3::int2ev3_" ref="f92ea931e8b26371b5a0625baf51ed91" 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 involving two centers in the IntV3 library.
<p>
<hr><h2>Member Function Documentation</h2>
<a class="anchor" name="2a1e6659a32c69e3e7f9082d44630735"></a><!-- doxytag: member="sc::TwoBodyTwoCenterIntV3::compute_shell" ref="2a1e6659a32c69e3e7f9082d44630735" args="(int, int)" -->
<div class="memitem">
<div class="memproto">
<table class="memname">
<tr>
<td class="memname">void sc::TwoBodyTwoCenterIntV3::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><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 index corresponds to electron 1 and the second index corresponds to electron 2.
<p>Implements <a class="el" href="classsc_1_1TwoBodyTwoCenterInt.html#f7d8221ab8f6758e844a62c163c54bb5">sc::TwoBodyTwoCenterInt</a>.</p>
</div>
</div><p>
<a class="anchor" name="85c6b0a32af3fcf133a84eb86bb322db"></a><!-- doxytag: member="sc::TwoBodyTwoCenterIntV3::log2_shell_bound" ref="85c6b0a32af3fcf133a84eb86bb322db" args="(int, int)" -->
<div class="memitem">
<div class="memproto">
<table class="memname">
<tr>
<td class="memname">int sc::TwoBodyTwoCenterIntV3::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><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_1TwoBodyTwoCenterInt.html#7c121f77fa5d7c5ebd033eb4ed7c53de">sc::TwoBodyTwoCenterInt</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>
distrib
>
Mandriva
>
2010.0
>
i586
>
media
>
contrib-release
>
by-pkgid
>
247b28499c443e092731ffba814075f2
>
files
>
953
