<!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_ikjy 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__ikjy.html">TwoBodyMOIntsTransform_ikjy</a> </div> </div> <div class="contents"> <h1>sc::TwoBodyMOIntsTransform_ikjy Class Reference</h1><!-- doxytag: class="sc::TwoBodyMOIntsTransform_ikjy" --><!-- doxytag: inherits="sc::TwoBodyMOIntsTransform" --><a class="el" href="classsc_1_1TwoBodyMOIntsTransform__ikjy.html" title="TwoBodyMOIntsTransform_ikjy computes (ik|jy) integrals using parallel integrals-direct...">TwoBodyMOIntsTransform_ikjy</a> computes (ik|jy) integrals using parallel integrals-direct AO->MO transformation. <a href="#_details">More...</a> <p> <code>#include <<a class="el" href="transform__ikjy_8h_source.html">transform_ikjy.h</a>></code> <p> <div class="dynheader"> Inheritance diagram for sc::TwoBodyMOIntsTransform_ikjy:</div> <div class="dynsection"> <p><center><img src="classsc_1_1TwoBodyMOIntsTransform__ikjy.png" usemap="#sc::TwoBodyMOIntsTransform_ikjy_map" border="0" alt=""></center> <map name="sc::TwoBodyMOIntsTransform_ikjy_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__ikjy-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="8df1f73c2f30dd7721ad95310d109f15"></a><!-- doxytag: member="sc::TwoBodyMOIntsTransform_ikjy::TwoBodyMOIntsTransform_ikjy" ref="8df1f73c2f30dd7721ad95310d109f15" args="(StateIn &)" --> </td><td class="memItemRight" valign="bottom"><b>TwoBodyMOIntsTransform_ikjy</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="05dec03ac663a755b3a0a47c66b2c518"></a><!-- doxytag: member="sc::TwoBodyMOIntsTransform_ikjy::TwoBodyMOIntsTransform_ikjy" ref="05dec03ac663a755b3a0a47c66b2c518" 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_ikjy</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__ikjy.html#b1dc19098190df3e61e84a08fcda799e">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="#b1dc19098190df3e61e84a08fcda799e"></a><br></td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="9bc8cc6c0f4b174d0935ef27476eb232"></a><!-- doxytag: member="sc::TwoBodyMOIntsTransform_ikjy::type" ref="9bc8cc6c0f4b174d0935ef27476eb232" args="() const " --> std::string </td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1TwoBodyMOIntsTransform__ikjy.html#9bc8cc6c0f4b174d0935ef27476eb232">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="67c39a9184c0fd08bb9a50eecd9f1199"></a><!-- doxytag: member="sc::TwoBodyMOIntsTransform_ikjy::memgrp_blksize" ref="67c39a9184c0fd08bb9a50eecd9f1199" args="() const " --> const size_t </td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1TwoBodyMOIntsTransform__ikjy.html#67c39a9184c0fd08bb9a50eecd9f1199">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="63b2b0929923453aaef6f74c1506c9bc"></a><!-- doxytag: member="sc::TwoBodyMOIntsTransform_ikjy::compute" ref="63b2b0929923453aaef6f74c1506c9bc" args="()" --> void </td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1TwoBodyMOIntsTransform__ikjy.html#63b2b0929923453aaef6f74c1506c9bc">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="55a03ca73bfb9c03c3565edb36eb7354"></a><!-- doxytag: member="sc::TwoBodyMOIntsTransform_ikjy::check_int_symm" ref="55a03ca73bfb9c03c3565edb36eb7354" args="(double threshold=TwoBodyMOIntsTransform::zero_integral) const " --> void </td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1TwoBodyMOIntsTransform__ikjy.html#55a03ca73bfb9c03c3565edb36eb7354">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__ikjy.html" title="TwoBodyMOIntsTransform_ikjy computes (ik|jy) integrals using parallel integrals-direct...">TwoBodyMOIntsTransform_ikjy</a> computes (ik|jy) integrals using parallel integrals-direct AO->MO transformation. <p> <hr><h2>Member Function Documentation</h2> <a class="anchor" name="b1dc19098190df3e61e84a08fcda799e"></a><!-- doxytag: member="sc::TwoBodyMOIntsTransform_ikjy::save_data_state" ref="b1dc19098190df3e61e84a08fcda799e" args="(StateOut &)" --> <div class="memitem"> <div class="memproto"> <table class="memname"> <tr> <td class="memname">void sc::TwoBodyMOIntsTransform_ikjy::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__ikjy_8h_source.html">transform_ikjy.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>