<!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::TwoBodyMOIntsTransform_ixjy 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_1TwoBodyMOIntsTransform__ixjy.html">TwoBodyMOIntsTransform_ixjy</a> </div> </div> <div class="contents"> <h1>sc::TwoBodyMOIntsTransform_ixjy Class Reference</h1><!-- doxytag: class="sc::TwoBodyMOIntsTransform_ixjy" --><!-- doxytag: inherits="sc::TwoBodyMOIntsTransform" --><a class="el" href="classsc_1_1TwoBodyMOIntsTransform__ixjy.html" title="TwoBodyMOIntsTransform_ixjy computes (ix|jy) integrals using parallel integrals-direct...">TwoBodyMOIntsTransform_ixjy</a> computes (ix|jy) integrals using parallel integrals-direct AO->MO transformation. <a href="#_details">More...</a> <p> <code>#include <<a class="el" href="transform__ixjy_8h_source.html">transform_ixjy.h</a>></code> <p> <div class="dynheader"> Inheritance diagram for sc::TwoBodyMOIntsTransform_ixjy:</div> <div class="dynsection"> <p><center><img src="classsc_1_1TwoBodyMOIntsTransform__ixjy.png" usemap="#sc::TwoBodyMOIntsTransform_ixjy_map" border="0" alt=""></center> <map name="sc::TwoBodyMOIntsTransform_ixjy_map"> <area href="classsc_1_1TwoBodyMOIntsTransform.html" alt="sc::TwoBodyMOIntsTransform" shape="rect" coords="0,224,206,248"> <area href="classsc_1_1SavableState.html" alt="sc::SavableState" shape="rect" coords="0,168,206,192"> <area href="classsc_1_1DescribedClass.html" alt="sc::DescribedClass" shape="rect" coords="0,112,206,136"> <area href="classsc_1_1RefCount.html" alt="sc::RefCount" shape="rect" coords="0,56,206,80"> <area href="classsc_1_1Identity.html" alt="sc::Identity" shape="rect" coords="0,0,206,24"> </map> </div> <p> <a href="classsc_1_1TwoBodyMOIntsTransform__ixjy-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="693f34e4e73f8f38b4a5e10edd22fdff"></a><!-- doxytag: member="sc::TwoBodyMOIntsTransform_ixjy::TwoBodyMOIntsTransform_ixjy" ref="693f34e4e73f8f38b4a5e10edd22fdff" args="(StateIn &)" --> </td><td class="memItemRight" valign="bottom"><b>TwoBodyMOIntsTransform_ixjy</b> (<a class="el" href="classsc_1_1StateIn.html">StateIn</a> &)</td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="77b546ac7e3a874a65fc389d46176d24"></a><!-- doxytag: member="sc::TwoBodyMOIntsTransform_ixjy::TwoBodyMOIntsTransform_ixjy" ref="77b546ac7e3a874a65fc389d46176d24" args="(const std::string &name, const Ref< MOIntsTransformFactory > &factory, const Ref< MOIndexSpace > &space1, const Ref< MOIndexSpace > &space2, const Ref< MOIndexSpace > &space3, const Ref< MOIndexSpace > &space4)" --> </td><td class="memItemRight" valign="bottom"><b>TwoBodyMOIntsTransform_ixjy</b> (const std::string &name, const <a class="el" href="classsc_1_1Ref.html">Ref</a>< <a class="el" href="classsc_1_1MOIntsTransformFactory.html">MOIntsTransformFactory</a> > &factory, const <a class="el" href="classsc_1_1Ref.html">Ref</a>< <a class="el" href="classsc_1_1MOIndexSpace.html">MOIndexSpace</a> > &space1, const <a class="el" href="classsc_1_1Ref.html">Ref</a>< <a class="el" href="classsc_1_1MOIndexSpace.html">MOIndexSpace</a> > &space2, const <a class="el" href="classsc_1_1Ref.html">Ref</a>< <a class="el" href="classsc_1_1MOIndexSpace.html">MOIndexSpace</a> > &space3, const <a class="el" href="classsc_1_1Ref.html">Ref</a>< <a class="el" href="classsc_1_1MOIndexSpace.html">MOIndexSpace</a> > &space4)</td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1TwoBodyMOIntsTransform__ixjy.html#9743b02bc4bb195ba812d11b1e5c7eca">save_data_state</a> (<a class="el" href="classsc_1_1StateOut.html">StateOut</a> &)</td></tr> <tr><td class="mdescLeft"> </td><td class="mdescRight">Save the base classes (with save_data_state) and the members in the same order that the <a class="el" href="classsc_1_1StateIn.html" title="Restores objects that derive from SavableState.">StateIn</a> CTOR initializes them. <a href="#9743b02bc4bb195ba812d11b1e5c7eca"></a><br></td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="a357711775e3edc9b8eb96b7cafcfd4a"></a><!-- doxytag: member="sc::TwoBodyMOIntsTransform_ixjy::type" ref="a357711775e3edc9b8eb96b7cafcfd4a" args="() const " --> std::string </td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1TwoBodyMOIntsTransform__ixjy.html#a357711775e3edc9b8eb96b7cafcfd4a">type</a> () const </td></tr> <tr><td class="mdescLeft"> </td><td class="mdescRight">Implementation of <a class="el" href="classsc_1_1TwoBodyMOIntsTransform.html#f2587b7820bc527af4c4340f801e2d2d" title="Returns a short label which uniquely identifies the type of transform.">TwoBodyMOIntsTransform::type()</a>. <br></td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="650797957e965a969d125fc737c3299c"></a><!-- doxytag: member="sc::TwoBodyMOIntsTransform_ixjy::memgrp_blksize" ref="650797957e965a969d125fc737c3299c" args="() const " --> const size_t </td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1TwoBodyMOIntsTransform__ixjy.html#650797957e965a969d125fc737c3299c">memgrp_blksize</a> () const </td></tr> <tr><td class="mdescLeft"> </td><td class="mdescRight">Returns the number of bytes allocated for each ij-block of integrals of one type in <a class="el" href="classsc_1_1MemoryGrp.html" title="The MemoryGrp abstract class provides a way of accessing distributed memory in a...">MemoryGrp</a>. <br></td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="137dafe2f86cfc0799189bf04a2f7b7a"></a><!-- doxytag: member="sc::TwoBodyMOIntsTransform_ixjy::compute" ref="137dafe2f86cfc0799189bf04a2f7b7a" args="()" --> void </td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1TwoBodyMOIntsTransform__ixjy.html#137dafe2f86cfc0799189bf04a2f7b7a">compute</a> ()</td></tr> <tr><td class="mdescLeft"> </td><td class="mdescRight">Computes transformed integrals. <br></td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="6be2deed47d7e97f52245cd9423b2b57"></a><!-- doxytag: member="sc::TwoBodyMOIntsTransform_ixjy::check_int_symm" ref="6be2deed47d7e97f52245cd9423b2b57" args="(double threshold=TwoBodyMOIntsTransform::zero_integral) const " --> void </td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1TwoBodyMOIntsTransform__ixjy.html#6be2deed47d7e97f52245cd9423b2b57">check_int_symm</a> (double threshold=<a class="el" href="classsc_1_1TwoBodyMOIntsTransform.html#52ec101c5b8de59661efe6ac463385b0">TwoBodyMOIntsTransform::zero_integral</a>) const throw (ProgrammingError)</td></tr> <tr><td class="mdescLeft"> </td><td class="mdescRight">Check symmetry of transformed integrals. <br></td></tr> </table> <hr><a name="_details"></a><h2>Detailed Description</h2> <a class="el" href="classsc_1_1TwoBodyMOIntsTransform__ixjy.html" title="TwoBodyMOIntsTransform_ixjy computes (ix|jy) integrals using parallel integrals-direct...">TwoBodyMOIntsTransform_ixjy</a> computes (ix|jy) integrals using parallel integrals-direct AO->MO transformation. <p> <hr><h2>Member Function Documentation</h2> <a class="anchor" name="9743b02bc4bb195ba812d11b1e5c7eca"></a><!-- doxytag: member="sc::TwoBodyMOIntsTransform_ixjy::save_data_state" ref="9743b02bc4bb195ba812d11b1e5c7eca" args="(StateOut &)" --> <div class="memitem"> <div class="memproto"> <table class="memname"> <tr> <td class="memname">void sc::TwoBodyMOIntsTransform_ixjy::save_data_state </td> <td>(</td> <td class="paramtype"><a class="el" href="classsc_1_1StateOut.html">StateOut</a> & </td> <td class="paramname"> </td> <td> ) </td> <td><code> [virtual]</code></td> </tr> </table> </div> <div class="memdoc"> <p> Save the base classes (with save_data_state) and the members in the same order that the <a class="el" href="classsc_1_1StateIn.html" title="Restores objects that derive from SavableState.">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="classsc_1_1TwoBodyMOIntsTransform.html#8f60e385ee605252562586d5889f9ba2">sc::TwoBodyMOIntsTransform</a>.</p> </div> </div><p> <hr>The documentation for this class was generated from the following file:<ul> <li><a class="el" href="transform__ixjy_8h_source.html">transform_ixjy.h</a></ul> </div> <hr> <address> <small> Generated at Wed Oct 14 14:12:15 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>