matrix_rep

SymOp.matrix_rep(

self: SymOp,

key: str,

) → Annotated[numpy.typing.NDArray[numpy.float64], '[m, n]']

Returns the matrix representation of a symmetry operation for transforming properties

Parameters:

key (str) – The name of the CASM-supported property to be transformed.

Returns:

matrix_rep – The matrix representation for transforming properties. The matrix is square, with dimension equal to the standard dimension of the specified property. For example, m=3 for key=”disp”, and m=6 for key=”Hstrain”. Local properties, such as “disp”, stored as columns of array local_values, can then be transformed using matrix_rep @ local_values. Global properties, such as “Hstrain”, stored as array global_values with a single column, can similarly be transformed using matrix_rep @ global_values.

Return type:

numpy.ndarray[numpy.float64[m, m]]