sc::IrreducibleRepresentation(3) MPQC sc::IrreducibleRepresentation(3) NAME sc::IrreducibleRepresentation - The IrreducibleRepresentation class pro- vides 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 representa- tion 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 ir- rep, the characters which represent the irrep, and the number of transla- tions and rotations in the irrep. The order of the point group is also pro- vided (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 de- generacy 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 Generated automatically by Doxygen for MPQC from the source code. Version 2.3.1 Thu Sep 3 2026 sc::IrreducibleRepresentation(3)
NAME | SYNOPSIS | Detailed Description | Constructor & Destructor Documentation | Member Function Documentation | Author
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