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sc::SymRep - The SymRep class provides an n dimensional matrix representation of a symmetry operation,

Author

       Generated automatically by Doxygen for MPQC from the source code.

Version 2.3.1                                    Sun Oct 4 2020                                    sc::SymRep(3)

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.

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>

   PublicMemberFunctionsSymRep (int=0)
       SymRep (const SymmetryOperation &)
       operatorSymmetryOperation () 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()(inti,intj)
       void zero ()
           zero out the symop
       SymRepoperate (const SymRep &r) const
           This operates on this with r (i.e. return r * this).
       SymReptransform (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

See Also