SymOp

Detailed Description

Relates to symmetry operations.

Classes
class	CASM::PermuteIterator
class	CASM::SymBasisPermute
	SymBasisPermute describes how a symmetry operation permutes atoms in a basis. More...
class	CASM::SymOp
	SymOp is the Coordinate representation of a symmetry operation it keeps fraction (FRAC) and Cartesian (CART) information about how a symetry operation transforms 3D spatial coordinates. More...

Functions
const SymOp::matrix_type &	CASM::get_matrix (const SymOp &op)
const SymOp::vector_type &	CASM::get_translation (const SymOp &op)
bool	CASM::get_time_reversal (const SymOp &op)
void	CASM::print_matrix_tau_col (Log &log, const SymOp &op, Index prec)
	Print formatted SymOp matrix and tau. More...

Function Documentation

get_matrix()

const SymOp::matrix_type & CASM::get_matrix

(

const SymOp &

op

)

Accessor to allow conversion to xtal::SymOpType. Returns Cartesian transformation matrix.

Definition at line 167 of file SymOp.cc.

get_time_reversal()

bool CASM::get_time_reversal

(

const SymOp &

op

)

Accessor to allow conversion to xtal::SymOpType. Returns whether the symmetry operation is time reversal active.

Definition at line 171 of file SymOp.cc.

get_translation()

const SymOp::vector_type & CASM::get_translation

(

const SymOp &

op

)

Accessor to allow conversion to xtal::SymOpType. Returns translation vector (tau).

Definition at line 169 of file SymOp.cc.

print_matrix_tau_col()

void CASM::print_matrix_tau_col	(	Log &	log,
		const SymOp &	op,
		Index	prec
	)

Print formatted SymOp matrix and tau.

                     Matrix |       Tau
    0.5  -0.86603         0 |     1.617
0.86603       0.5         0 |   0.93357
      0         0         1 |    2.5843

• Includes Log indentation level

Definition at line 196 of file SymOp.cc.