Enter your search terms GNU-Darwin Web Submit search form

sc::IrreducibleRepresentation Class Reference The IrreducibleRepresentation class provides information associated with a particular irreducible representation of a point group. More... #include <pointgrp.h> Collaboration diagram for sc::IrreducibleRepresentation: [legend]List of all members. Public Methods   IrreducibleRepresentation ()   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. More...   ~IrreducibleRepresentation () 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. More... 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. The documentation for this class was generated from the following file: pointgrp.h