Sophie

Sophie

distrib > Mandriva > 2010.0 > i586 > media > contrib-release > by-pkgid > 247b28499c443e092731ffba814075f2 > files > 747

mpqc-html-2.3.1-9mdv2010.0.i586.rpm

<!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&nbsp;Page</span></a></li>
      <li><a href="pages.html"><span>Related&nbsp;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&nbsp;List</span></a></li>
      <li><a href="hierarchy.html"><span>Class&nbsp;Hierarchy</span></a></li>
      <li><a href="functions.html"><span>Class&nbsp;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 &lt;<a class="el" href="sobasis_8h_source.html">sobasis.h</a>&gt;</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&nbsp;</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&nbsp;</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">&nbsp;</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&nbsp;</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&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1SOTransform.html#924027208d8e720ac203dffe5e39062e">naoshell</a></td></tr>

<tr><td class="mdescLeft">&nbsp;</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> *&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1SOTransform.html#e792cf31b2c8cf3d887760ea465d0002">aoshell</a></td></tr>

<tr><td class="mdescLeft">&nbsp;</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>