<!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::SOTransform 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_1SOTransform.html">SOTransform</a> </div> </div> <div class="contents"> <h1>sc::SOTransform Class Reference</h1><!-- doxytag: class="sc::SOTransform" --><a class="el" href="classsc_1_1SOTransform.html" title="SOTransform maintains a list of AO shells that are be used to compute the SO.">SOTransform</a> maintains a list of AO shells that are be used to compute the SO. <a href="#_details">More...</a> <p> <code>#include <<a class="el" href="sobasis_8h_source.html">sobasis.h</a>></code> <p> <p> <a href="classsc_1_1SOTransform-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="0947da8e36107993ed430e8ca5f70f88"></a><!-- doxytag: member="sc::SOTransform::set_naoshell" ref="0947da8e36107993ed430e8ca5f70f88" args="(int n)" --> void </td><td class="memItemRight" valign="bottom"><b>set_naoshell</b> (int n)</td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="fafbde71a206ce288b85fd0d6780df3a"></a><!-- doxytag: member="sc::SOTransform::add_transform" ref="fafbde71a206ce288b85fd0d6780df3a" args="(int aoshell, int irrep, double coef, int aofunc, int sofunc)" --> void </td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1SOTransform.html#fafbde71a206ce288b85fd0d6780df3a">add_transform</a> (int <a class="el" href="classsc_1_1SOTransform.html#e792cf31b2c8cf3d887760ea465d0002">aoshell</a>, int irrep, double coef, int aofunc, int sofunc)</td></tr> <tr><td class="mdescLeft"> </td><td class="mdescRight">Adds another term to the transform. <br></td></tr> <tr><td colspan="2"><br><h2>Public Attributes</h2></td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="89f4916857c3b035da5fb171dbfe4671"></a><!-- doxytag: member="sc::SOTransform::naoshell_allocated" ref="89f4916857c3b035da5fb171dbfe4671" args="" --> int </td><td class="memItemRight" valign="bottom"><b>naoshell_allocated</b></td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="924027208d8e720ac203dffe5e39062e"></a><!-- doxytag: member="sc::SOTransform::naoshell" ref="924027208d8e720ac203dffe5e39062e" args="" --> int </td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1SOTransform.html#924027208d8e720ac203dffe5e39062e">naoshell</a></td></tr> <tr><td class="mdescLeft"> </td><td class="mdescRight">The number of AO shells that make up this SO shell. <br></td></tr> <tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="e792cf31b2c8cf3d887760ea465d0002"></a><!-- doxytag: member="sc::SOTransform::aoshell" ref="e792cf31b2c8cf3d887760ea465d0002" args="" --> <a class="el" href="classsc_1_1SOTransformShell.html">SOTransformShell</a> * </td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1SOTransform.html#e792cf31b2c8cf3d887760ea465d0002">aoshell</a></td></tr> <tr><td class="mdescLeft"> </td><td class="mdescRight">The <a class="el" href="classsc_1_1SOTransformShell.html" title="SOTransformShell maintains a list of AO functions contribute to an SO function in...">SOTransformShell</a> object for each AO. <br></td></tr> </table> <hr><a name="_details"></a><h2>Detailed Description</h2> <a class="el" href="classsc_1_1SOTransform.html" title="SOTransform maintains a list of AO shells that are be used to compute the SO.">SOTransform</a> maintains a list of AO shells that are be used to compute the SO. <p> The information is stored in objects of type <a class="el" href="classsc_1_1SOTransformShell.html" title="SOTransformShell maintains a list of AO functions contribute to an SO function in...">SOTransformShell</a>. <hr>The documentation for this class was generated from the following file:<ul> <li><a class="el" href="sobasis_8h_source.html">sobasis.h</a></ul> </div> <hr> <address> <small> Generated at Wed Oct 14 14:12:13 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>