sc::SymRep Class Reference

The SymRep class provides an n dimensional matrix representation of a symmetry operation, such as a rotation or reflection. More...

#include <pointgrp.h>

List of all members.

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.


The documentation for this class was generated from the following file:
Generated at Mon Dec 3 23:23:58 2007 for MPQC 2.3.1 using the documentation package Doxygen 1.5.2.