NAME

       sc::IrreducibleRepresentation - The IrreducibleRepresentation class provides information
       associated with a particular irreducible representation of a point group.

SYNOPSIS

       #include <pointgrp.h>

   Public Member Functions
       IrreducibleRepresentation (const IrreducibleRepresentation &)
       IrreducibleRepresentation (int, int, const char *, const char *=0)
           This constructor takes as arguments the order of the point group, the degeneracy of
           the irrep, and the Mulliken symbol of the irrep.
       IrreducibleRepresentation & operator= (const IrreducibleRepresentation &)
       void init (int=0, int=0, const char *=0, const char *=0)
           Initialize the order, degeneracy, and Mulliken symbol of the irrep.
       int order () const
           Returns the order of the group.
       int degeneracy () const
           Returns the degeneracy of the irrep.
       int complex () const
           Returns the value of complex_.
       int nproj () const
           Returns the number of projection operators for the irrep.
       int nrot () const
           Returns the number of rotations associated with the irrep.
       int ntrans () const
           Returns the number of translations associated with the irrep.
       const char * symbol () const
           Returns the Mulliken symbol for the irrep.
       const char * symbol_ns () const
           Returns the Mulliken symbol for the irrep without special characters.
       double character (int i) const
           Returns the character for the i'th symmetry operation of the point group.
       double p (int x1, int x2, int i) const
           Returns the element (x1,x2) of the i'th representation matrix.
       double p (int d, int i) const
           Returns the character for the d'th contribution to the i'th representation matrix.
       void print (std::ostream &=ExEnv::out0()) const
           This prints the irrep to the given file, or stdout if none is given.

   Friends
       class CharacterTable

Detailed Description

       The IrreducibleRepresentation class provides information associated with a particular
       irreducible representation of a point group.

       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).

Constructor & Destructor Documentation

   sc::IrreducibleRepresentation::IrreducibleRepresentation (int, int, const char *, const char *
       = 0)
       This constructor takes as arguments the order of the point group, the degeneracy of the
       irrep, and the Mulliken symbol of the irrep. The Mulliken symbol is copied internally.

Member Function Documentation

   void sc::IrreducibleRepresentation::print (std::ostream & = ExEnv::out0()) const
       This prints the irrep to the given file, or stdout if none is given. The second argument
       is an optional string of spaces to offset by.

Author

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