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

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:

Public Member Functions