<!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::SpatialMOPairIter 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_1SpatialMOPairIter.html">SpatialMOPairIter</a> </div> </div> <div class="contents"> <h1>sc::SpatialMOPairIter Class Reference</h1><!-- doxytag: class="sc::SpatialMOPairIter" --><!-- doxytag: inherits="sc::MOPairIter" --><a class="el" href="classsc_1_1SpatialMOPairIter.html" title="SpatialMOPairIter gives the ordering of pairs of spatial orbitals.">SpatialMOPairIter</a> gives the ordering of pairs of spatial orbitals. <a href="#_details">More...</a> <p> <code>#include <<a class="el" href="pairiter_8h_source.html">pairiter.h</a>></code> <p> <div class="dynheader"> Inheritance diagram for sc::SpatialMOPairIter:</div> <div class="dynsection"> <p><center><img src="classsc_1_1SpatialMOPairIter.png" usemap="#sc::SpatialMOPairIter_map" border="0" alt=""></center> <map name="sc::SpatialMOPairIter_map"> <area href="classsc_1_1MOPairIter.html" alt="sc::MOPairIter" shape="rect" coords="84,112,242,136"> <area href="classsc_1_1RefCount.html" alt="sc::RefCount" shape="rect" coords="84,56,242,80"> <area href="classsc_1_1Identity.html" alt="sc::Identity" shape="rect" coords="84,0,242,24"> <area href="classsc_1_1SpatialMOPairIter__eq.html" alt="sc::SpatialMOPairIter_eq" shape="rect" coords="0,224,158,248"> <area href="classsc_1_1SpatialMOPairIter__neq.html" alt="sc::SpatialMOPairIter_neq" shape="rect" coords="168,224,326,248"> </map> </div> <p> <a href="classsc_1_1SpatialMOPairIter-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="f8d3d838b661e5e500450572dba2a314"></a><!-- doxytag: member="sc::SpatialMOPairIter::SpatialMOPairIter" ref="f8d3d838b661e5e500450572dba2a314" args="(const Ref< MOIndexSpace > &space_i, const Ref< MOIndexSpace > &space_j)" --> </td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1SpatialMOPairIter.html#f8d3d838b661e5e500450572dba2a314">SpatialMOPairIter</a> (const <a class="el" href="classsc_1_1Ref.html">Ref</a>< <a class="el" href="classsc_1_1MOIndexSpace.html">MOIndexSpace</a> > &space_i, const <a class="el" href="classsc_1_1Ref.html">Ref</a>< <a class="el" href="classsc_1_1MOIndexSpace.html">MOIndexSpace</a> > &space_j)</td></tr> <tr><td class="mdescLeft"> </td><td class="mdescRight">Initialize a spatial pair iterator for the given MO spaces. <br></td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="cf9c952212d3b4c0078f4eb1117fcd71"></a><!-- doxytag: member="sc::SpatialMOPairIter::nij_aa" ref="cf9c952212d3b4c0078f4eb1117fcd71" args="() const =0" --> virtual int </td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1SpatialMOPairIter.html#cf9c952212d3b4c0078f4eb1117fcd71">nij_aa</a> () const =0</td></tr> <tr><td class="mdescLeft"> </td><td class="mdescRight">Returns the number of functions in alpha-alpha space. <br></td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="2bf45c9356b17b9ef06eca1c18da76e8"></a><!-- doxytag: member="sc::SpatialMOPairIter::nij_ab" ref="2bf45c9356b17b9ef06eca1c18da76e8" args="() const =0" --> virtual int </td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1SpatialMOPairIter.html#2bf45c9356b17b9ef06eca1c18da76e8">nij_ab</a> () const =0</td></tr> <tr><td class="mdescLeft"> </td><td class="mdescRight">Returns the number of functions in alpha-beta space. <br></td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top">virtual int </td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1SpatialMOPairIter.html#7f3920fa917ac73dcd5670f9b6a4a7f4">ij_aa</a> () const =0</td></tr> <tr><td class="mdescLeft"> </td><td class="mdescRight">Returns compound index ij for alpha-alpha case. <a href="#7f3920fa917ac73dcd5670f9b6a4a7f4"></a><br></td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="558808e15a754c0965b36aa736125997"></a><!-- doxytag: member="sc::SpatialMOPairIter::ij_ab" ref="558808e15a754c0965b36aa736125997" args="() const =0" --> virtual int </td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1SpatialMOPairIter.html#558808e15a754c0965b36aa736125997">ij_ab</a> () const =0</td></tr> <tr><td class="mdescLeft"> </td><td class="mdescRight">Returns compound index ij for alpha-beta case. <br></td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="6244bd5809945fb83a766bc746401071"></a><!-- doxytag: member="sc::SpatialMOPairIter::ij_ba" ref="6244bd5809945fb83a766bc746401071" args="() const =0" --> virtual int </td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1SpatialMOPairIter.html#6244bd5809945fb83a766bc746401071">ij_ba</a> () const =0</td></tr> <tr><td class="mdescLeft"> </td><td class="mdescRight">Returns compound index ij for beta-alpha case. <br></td></tr> </table> <hr><a name="_details"></a><h2>Detailed Description</h2> <a class="el" href="classsc_1_1SpatialMOPairIter.html" title="SpatialMOPairIter gives the ordering of pairs of spatial orbitals.">SpatialMOPairIter</a> gives the ordering of pairs of spatial orbitals. <p> Different spin cases appear. <hr><h2>Member Function Documentation</h2> <a class="anchor" name="7f3920fa917ac73dcd5670f9b6a4a7f4"></a><!-- doxytag: member="sc::SpatialMOPairIter::ij_aa" ref="7f3920fa917ac73dcd5670f9b6a4a7f4" args="() const =0" --> <div class="memitem"> <div class="memproto"> <table class="memname"> <tr> <td class="memname">virtual int sc::SpatialMOPairIter::ij_aa </td> <td>(</td> <td class="paramname"> </td> <td> ) </td> <td> const<code> [pure virtual]</code></td> </tr> </table> </div> <div class="memdoc"> <p> Returns compound index ij for alpha-alpha case. <p> If the combintaion is not allowed then return -1 <p>Implemented in <a class="el" href="classsc_1_1SpatialMOPairIter__eq.html#3abc838fc06385784a66e228bcb08348">sc::SpatialMOPairIter_eq</a>, and <a class="el" href="classsc_1_1SpatialMOPairIter__neq.html#7ecb3e2c376d96d9b3b6dcab5702cdb4">sc::SpatialMOPairIter_neq</a>.</p> </div> </div><p> <hr>The documentation for this class was generated from the following file:<ul> <li><a class="el" href="pairiter_8h_source.html">pairiter.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>