<!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 4.0 Transitional//EN">
<html><head><meta name="robots" content="noindex">
<meta http-equiv="Content-Type" content="text/html;charset=iso-8859-1">
<title>sc::IrreducibleRepresentation class Reference</title>
<link href="doxygen.css" rel="stylesheet" type="text/css">
</head><body bgcolor="#ffffff">
<!-- Generated by Doxygen 1.2.5 on Mon Oct 14 14:17:04 2002 -->
<center>
<a class="qindex" href="index.html">Main Page</a> <a class="qindex" href="hierarchy.html">Class Hierarchy</a> <a class="qindex" href="annotated.html">Compound List</a> <a class="qindex" href="files.html">File List</a> <a class="qindex" href="functions.html">Compound Members</a> <a class="qindex" href="pages.html">Related Pages</a> </center>
<hr><h1>sc::IrreducibleRepresentation Class Reference</h1>The <a class="el" href="class_sc__IrreducibleRepresentation.html">IrreducibleRepresentation</a> class provides information associated with a particular irreducible representation of a point group.
<a href="#_details">More...</a>
<p>
<code>#include <<a class="el" href="pointgrp_h-source.html">pointgrp.h</a>></code>
<p>
Collaboration diagram for sc::IrreducibleRepresentation:<p><center><img src="class_sc__IrreducibleRepresentation_coll_graph.gif" border="0" usemap="#sc::IrreducibleRepresentation_coll_map" alt="Collaboration graph"></center>
<map name="sc::IrreducibleRepresentation_coll_map">
<area href="class_sc__SymRep.html" shape="rect" coords="61,14,138,33">
</map>
<center><font size="2">[<a href="graph_legend.html">legend</a>]</font></center><a href="class_sc__IrreducibleRepresentation-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::IrreducibleRepresentation::IrreducibleRepresentation"></a>
</td><td valign=bottom><b>IrreducibleRepresentation</b> ()</td></tr>
<tr><td nowrap align=right valign=top><a name="a1" doxytag="sc::IrreducibleRepresentation::IrreducibleRepresentation"></a>
</td><td valign=bottom><b>IrreducibleRepresentation</b> (const IrreducibleRepresentation &)</td></tr>
<tr><td nowrap align=right valign=top> </td><td valign=bottom><a class="el" href="class_sc__IrreducibleRepresentation.html#a2">IrreducibleRepresentation</a> (int, int, const char *,const char *=0)</td></tr>
<tr><td> </td><td><font size=-1><em>This constructor takes as arguments the order of the point group, the degeneracy of the irrep, and the Mulliken symbol of the irrep.</em> <a href="#a2">More...</a><em></em></font><br><br></td></tr>
<tr><td nowrap align=right valign=top><a name="a3" doxytag="sc::IrreducibleRepresentation::~IrreducibleRepresentation"></a>
</td><td valign=bottom><b>~IrreducibleRepresentation</b> ()</td></tr>
<tr><td nowrap align=right valign=top><a name="a4" doxytag="sc::IrreducibleRepresentation::operator="></a>
IrreducibleRepresentation& </td><td valign=bottom><b>operator=</b> (const IrreducibleRepresentation &)</td></tr>
<tr><td nowrap align=right valign=top><a name="a5" doxytag="sc::IrreducibleRepresentation::init"></a>
void </td><td valign=bottom><a class="el" href="class_sc__IrreducibleRepresentation.html#a5">init</a> (int=0, int=0, const char *=0, const char *=0)</td></tr>
<tr><td> </td><td><font size=-1><em>Initialize the order, degeneracy, and Mulliken symbol of the irrep.</em></font><br><br></td></tr>
<tr><td nowrap align=right valign=top><a name="a6" doxytag="sc::IrreducibleRepresentation::order"></a>
int </td><td valign=bottom><a class="el" href="class_sc__IrreducibleRepresentation.html#a6">order</a> () const</td></tr>
<tr><td> </td><td><font size=-1><em>Returns the order of the group.</em></font><br><br></td></tr>
<tr><td nowrap align=right valign=top><a name="a7" doxytag="sc::IrreducibleRepresentation::degeneracy"></a>
int </td><td valign=bottom><a class="el" href="class_sc__IrreducibleRepresentation.html#a7">degeneracy</a> () const</td></tr>
<tr><td> </td><td><font size=-1><em>Returns the degeneracy of the irrep.</em></font><br><br></td></tr>
<tr><td nowrap align=right valign=top><a name="a8" doxytag="sc::IrreducibleRepresentation::complex"></a>
int </td><td valign=bottom><a class="el" href="class_sc__IrreducibleRepresentation.html#a8">complex</a> () const</td></tr>
<tr><td> </td><td><font size=-1><em>Returns the value of complex_.</em></font><br><br></td></tr>
<tr><td nowrap align=right valign=top><a name="a9" doxytag="sc::IrreducibleRepresentation::nproj"></a>
int </td><td valign=bottom><a class="el" href="class_sc__IrreducibleRepresentation.html#a9">nproj</a> () const</td></tr>
<tr><td> </td><td><font size=-1><em>Returns the number of projection operators for the irrep.</em></font><br><br></td></tr>
<tr><td nowrap align=right valign=top><a name="a10" doxytag="sc::IrreducibleRepresentation::nrot"></a>
int </td><td valign=bottom><a class="el" href="class_sc__IrreducibleRepresentation.html#a10">nrot</a> () const</td></tr>
<tr><td> </td><td><font size=-1><em>Returns the number of rotations associated with the irrep.</em></font><br><br></td></tr>
<tr><td nowrap align=right valign=top><a name="a11" doxytag="sc::IrreducibleRepresentation::ntrans"></a>
int </td><td valign=bottom><a class="el" href="class_sc__IrreducibleRepresentation.html#a11">ntrans</a> () const</td></tr>
<tr><td> </td><td><font size=-1><em>Returns the number of translations associated with the irrep.</em></font><br><br></td></tr>
<tr><td nowrap align=right valign=top><a name="a12" doxytag="sc::IrreducibleRepresentation::symbol"></a>
const char* </td><td valign=bottom><a class="el" href="class_sc__IrreducibleRepresentation.html#a12">symbol</a> () const</td></tr>
<tr><td> </td><td><font size=-1><em>Returns the Mulliken symbol for the irrep.</em></font><br><br></td></tr>
<tr><td nowrap align=right valign=top><a name="a13" doxytag="sc::IrreducibleRepresentation::symbol_ns"></a>
const char* </td><td valign=bottom><a class="el" href="class_sc__IrreducibleRepresentation.html#a13">symbol_ns</a> () const</td></tr>
<tr><td> </td><td><font size=-1><em>Returns the Mulliken symbol for the irrep without special characters.</em></font><br><br></td></tr>
<tr><td nowrap align=right valign=top><a name="a14" doxytag="sc::IrreducibleRepresentation::character"></a>
double </td><td valign=bottom><a class="el" href="class_sc__IrreducibleRepresentation.html#a14">character</a> (int i) const</td></tr>
<tr><td> </td><td><font size=-1><em>Returns the character for the i'th symmetry operation of the point group.</em></font><br><br></td></tr>
<tr><td nowrap align=right valign=top><a name="a15" doxytag="sc::IrreducibleRepresentation::p"></a>
double </td><td valign=bottom><a class="el" href="class_sc__IrreducibleRepresentation.html#a15">p</a> (int x1, int x2, int i) const</td></tr>
<tr><td> </td><td><font size=-1><em>Returns the element (x1,x2) of the i'th representation matrix.</em></font><br><br></td></tr>
<tr><td nowrap align=right valign=top><a name="a16" doxytag="sc::IrreducibleRepresentation::p"></a>
double </td><td valign=bottom><a class="el" href="class_sc__IrreducibleRepresentation.html#a16">p</a> (int d, int i) const</td></tr>
<tr><td> </td><td><font size=-1><em>Returns the character for the d'th contribution to the i'th representation matrix.</em></font><br><br></td></tr>
<tr><td nowrap align=right valign=top>void </td><td valign=bottom><a class="el" href="class_sc__IrreducibleRepresentation.html#a17">print</a> (std::ostream &=ExEnv::out0()) const</td></tr>
<tr><td> </td><td><font size=-1><em>This prints the irrep to the given file, or stdout if none is given.</em> <a href="#a17">More...</a><em></em></font><br><br></td></tr>
<tr><td colspan=2><br><h2>Friends</h2></td></tr>
<tr><td nowrap align=right valign=top>class </td><td valign=bottom><b>CharacterTable</b></td></tr>
</table>
<hr><a name="_details"></a><h2>Detailed Description</h2>
The <a class="el" href="class_sc__IrreducibleRepresentation.html">IrreducibleRepresentation</a> class provides information associated with a particular irreducible representation of a point group.
<p>
This includes the Mulliken symbol for the irrep, the degeneracy of the irrep, the characters which represent the irrep, and the number of translations and rotations in the irrep. The order of the point group is also provided (this is equal to the number of characters in an irrep).
<p>
<hr><h2>Constructor & Destructor Documentation</h2>
<a name="a2" doxytag="sc::IrreducibleRepresentation::IrreducibleRepresentation"></a><p>
<table width="100%" cellpadding="2" cellspacing="0" border="0">
<tr>
<td class="md">
<table cellpadding="0" cellspacing="0" border="0">
<tr>
<td nowrap valign="top"><b>
sc::IrreducibleRepresentation::IrreducibleRepresentation (
</b></td>
<td valign="bottom"><b>
int,
</b></td>
</tr>
<tr>
<td></td>
<td><b>
int,
</b></td>
</tr>
<tr>
<td></td>
<td><b>
const char *,
</b></td>
</tr>
<tr>
<td></td>
<td><b>
const char * = 0 )
</b></td>
</tr>
</table>
</td>
</tr>
</table>
<table cellspacing=5 cellpadding=0 border=0>
<tr>
<td>
</td>
<td>
<p>
This constructor takes as arguments the order of the point group, the degeneracy of the irrep, and the Mulliken symbol of the irrep.
<p>
The Mulliken symbol is copied internally. </td>
</tr>
</table>
<hr><h2>Member Function Documentation</h2>
<a name="a17" doxytag="sc::IrreducibleRepresentation::print"></a><p>
<table width="100%" cellpadding="2" cellspacing="0" border="0">
<tr>
<td class="md">
<table cellpadding="0" cellspacing="0" border="0">
<tr>
<td nowrap valign="top"><b>
void sc::IrreducibleRepresentation::print (
</b></td>
<td valign="bottom"><b>
std::ostream & = ExEnv::out0() ) const
</b></td>
</tr>
</table>
</td>
</tr>
</table>
<table cellspacing=5 cellpadding=0 border=0>
<tr>
<td>
</td>
<td>
<p>
This prints the irrep to the given file, or stdout if none is given.
<p>
The second argument is an optional string of spaces to offset by. </td>
</tr>
</table>
<hr>The documentation for this class was generated from the following file:<ul>
<li><a class="el" href="pointgrp_h-source.html">pointgrp.h</a></ul>
<hr>
<address>
<small>
Generated at Mon Oct 14 14:17:04 2002 for <a
href="http://aros.ca.sandia.gov/~cljanss/mpqc">MPQC</a>
2.1.2 using the documentation package <a
href="http://www.stack.nl/~dimitri/doxygen/index.html">Doxygen</a>
1.2.5.
</small>
</address>
</body>
</html>
distrib
>
Mandriva
>
9.1
>
ppc
>
media
>
contrib
>
by-pkgid
>
263386785cefb9ae5d63b926d214d809
>
files
>
282
