sc::symrep(3)
NAME
sc::SymRep - The SymRep class provides an n dimensional matrix
representation of a symmetry operation, such as a rotation or
reflection.
SYNOPSIS
#include <pointgrp.h> Public Member Functions SymRep (int=0) SymRep (const SymmetryOperation &) operator SymmetryOperation () const Cast to a SymmetryOperation. double trace () const returns the trace of the transformation matrix void set_dim (int i) set the dimension of d double * operator[] (int i) returns the i'th row of the transformation matrix const double * operator[] (int i) const const version of the above double & operator() (int i, int j) returns a reference to the (i,j)th element of the transformation matrix double operator() (int i, int j) const const version of double& operator()(int i, int j) void zero () zero out the symop SymRep operate (const SymRep &r) const This operates on this with r (i.e. return r * this). SymRep transform (const SymRep &r) const This performs the transform r * this * r~. void unit () Set equal to a unit matrix. void E () Set equal to the identity. void i () Set equal to an inversion. void sigma_h () Set equal to reflection in xy plane. void sigma_xz () Set equal to reflection in xz plane. void sigma_yz () Set equal to reflection in yz plane. void rotation (int n) Set equal to a clockwise rotation by 2pi/n. void rotation (double theta) void c2_x () Set equal to C2 about the x axis. void c2_y () Set equal to C2 about the x axis. void print (std::ostream &=ExEnv::out0()) const print the matrix
Detailed Description
The SymRep class provides an n dimensional matrix representation of a
symmetry operation, such as a rotation or reflection.
The trace of a SymRep can be used as the character for that symmetry
operation. d is hardwired to 5x5 since the H irrep in Ih is 5
dimensional.
Author
- Generated automatically by Doxygen for MPQC from the source code.