Sophie

Sophie

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<hr><h1>sc::SOTransform  Class Reference</h1><a class="el" href="class_sc__SOTransform.html">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_h-source.html">sobasis.h</a>&gt;</code>
<p>
Collaboration diagram for sc::SOTransform:<p><center><img src="class_sc__SOTransform_coll_graph.gif" border="0" usemap="#sc::SOTransform_coll_map" alt="Collaboration graph"></center>
<map name="sc::SOTransform_coll_map">
<area href="class_sc__SOTransformShell.html" shape="rect" coords="25,96,155,115">
<area href="class_sc__SOTransformFunction.html" shape="rect" coords="14,13,166,32">
</map>
<center><font size="2">[<a href="graph_legend.html">legend</a>]</font></center><a href="class_sc__SOTransform-members.html">List of all members.</a><table border=0 cellpadding=0 cellspacing=0>
<tr><td colspan=2><br><h2>Public Methods</h2></td></tr>
<tr><td nowrap align=right valign=top><a name="a0" doxytag="sc::SOTransform::SOTransform"></a>
&nbsp;</td><td valign=bottom><b>SOTransform</b> ()</td></tr>
<tr><td nowrap align=right valign=top><a name="a1" doxytag="sc::SOTransform::~SOTransform"></a>
&nbsp;</td><td valign=bottom><b>~SOTransform</b> ()</td></tr>
<tr><td nowrap align=right valign=top><a name="a2" doxytag="sc::SOTransform::set_naoshell"></a>
void&nbsp;</td><td valign=bottom><b>set_naoshell</b> (int n)</td></tr>
<tr><td nowrap align=right valign=top><a name="a3" doxytag="sc::SOTransform::add_transform"></a>
void&nbsp;</td><td valign=bottom><a class="el" href="class_sc__SOTransform.html#a3">add_transform</a> (int <a class="el" href="class_sc__SOTransform.html#m2">aoshell</a>, int irrep, double coef, int aofunc, int sofunc)</td></tr>
<tr><td>&nbsp;</td><td><font size=-1><em>Adds another term to the transform.</em></font><br><br></td></tr>
<tr><td colspan=2><br><h2>Public Attributes</h2></td></tr>
<tr><td nowrap align=right valign=top><a name="m0" doxytag="sc::SOTransform::naoshell_allocated"></a>
int&nbsp;</td><td valign=bottom><b>naoshell_allocated</b></td></tr>
<tr><td nowrap align=right valign=top><a name="m1" doxytag="sc::SOTransform::naoshell"></a>
int&nbsp;</td><td valign=bottom><a class="el" href="class_sc__SOTransform.html#m1">naoshell</a></td></tr>
<tr><td>&nbsp;</td><td><font size=-1><em>The number of AO shells that make up this SO shell.</em></font><br><br></td></tr>
<tr><td nowrap align=right valign=top><a name="m2" doxytag="sc::SOTransform::aoshell"></a>
<a class="el" href="class_sc__SOTransformShell.html">SOTransformShell</a>*&nbsp;</td><td valign=bottom><a class="el" href="class_sc__SOTransform.html#m2">aoshell</a></td></tr>
<tr><td>&nbsp;</td><td><font size=-1><em>The <a class="el" href="class_sc__SOTransformShell.html">SOTransformShell</a> object for each AO.</em></font><br><br></td></tr>
</table>
<hr><a name="_details"></a><h2>Detailed Description</h2>
<a class="el" href="class_sc__SOTransform.html">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="class_sc__SOTransformShell.html">SOTransformShell</a>. 
<p>
<hr>The documentation for this class was generated from the following file:<ul>
<li><a class="el" href="sobasis_h-source.html">sobasis.h</a></ul>
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