.TH "sc::IrreducibleRepresentation" 3 "Sun Oct 4 2020" "Version 2.3.1" "MPQC" \" -*- nroff -*- .ad l .nh .SH NAME sc::IrreducibleRepresentation \- The \fBIrreducibleRepresentation\fP class provides information associated with a particular irreducible representation of a point group\&. .SH SYNOPSIS .br .PP .PP \fC#include \fP .SS "Public Member Functions" .in +1c .ti -1c .RI "\fBIrreducibleRepresentation\fP (const \fBIrreducibleRepresentation\fP &)" .br .ti -1c .RI "\fBIrreducibleRepresentation\fP (int, int, const char *, const char *=0)" .br .RI "This constructor takes as arguments the order of the point group, the degeneracy of the irrep, and the Mulliken symbol of the irrep\&. " .ti -1c .RI "\fBIrreducibleRepresentation\fP & \fBoperator=\fP (const \fBIrreducibleRepresentation\fP &)" .br .ti -1c .RI "void \fBinit\fP (int=0, int=0, const char *=0, const char *=0)" .br .RI "Initialize the order, degeneracy, and Mulliken symbol of the irrep\&. " .ti -1c .RI "int \fBorder\fP () const" .br .RI "Returns the order of the group\&. " .ti -1c .RI "int \fBdegeneracy\fP () const" .br .RI "Returns the degeneracy of the irrep\&. " .ti -1c .RI "int \fBcomplex\fP () const" .br .RI "Returns the value of complex_\&. " .ti -1c .RI "int \fBnproj\fP () const" .br .RI "Returns the number of projection operators for the irrep\&. " .ti -1c .RI "int \fBnrot\fP () const" .br .RI "Returns the number of rotations associated with the irrep\&. " .ti -1c .RI "int \fBntrans\fP () const" .br .RI "Returns the number of translations associated with the irrep\&. " .ti -1c .RI "const char * \fBsymbol\fP () const" .br .RI "Returns the Mulliken symbol for the irrep\&. " .ti -1c .RI "const char * \fBsymbol_ns\fP () const" .br .RI "Returns the Mulliken symbol for the irrep without special characters\&. " .ti -1c .RI "double \fBcharacter\fP (int i) const" .br .RI "Returns the character for the i'th symmetry operation of the point group\&. " .ti -1c .RI "double \fBp\fP (int x1, int x2, int i) const" .br .RI "Returns the element (x1,x2) of the i'th representation matrix\&. " .ti -1c .RI "double \fBp\fP (int d, int i) const" .br .RI "Returns the character for the d'th contribution to the i'th representation matrix\&. " .ti -1c .RI "void \fBprint\fP (std::ostream &=\fBExEnv::out0\fP()) const" .br .RI "This prints the irrep to the given file, or stdout if none is given\&. " .in -1c .SS "Friends" .in +1c .ti -1c .RI "class \fBCharacterTable\fP" .br .in -1c .SH "Detailed Description" .PP The \fBIrreducibleRepresentation\fP 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)\&. .br .SH "Constructor & Destructor Documentation" .PP .SS "sc::IrreducibleRepresentation::IrreducibleRepresentation (int, int, const char *, const char * = \fC0\fP)" .PP 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\&. .SH "Member Function Documentation" .PP .SS "void sc::IrreducibleRepresentation::print (std::ostream & = \fC\fBExEnv::out0\fP()\fP) const" .PP 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\&. .SH "Author" .PP Generated automatically by Doxygen for MPQC from the source code\&.