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Man Pages


Manual Reference Pages  -  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.

CONTENTS

Synopsis

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.

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Version 2.3.1 SC::SYMREP (3) Sun Apr 3 2016

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