wulfric.get_S_matrix#
- wulfric.get_S_matrix(cell, correct_lattice_type, rtol=0.0001, atol=1e-08)[source]#
Analyse arbitrary cell and redefine it if required to ensure the unique choice of lattice vectors.
Changed in version 0.4.0: Renamed from
standardize_cellSee docs for each Bravais lattice for the details.
- Parameters:
- cell(3,3) array-like
Primitive unit cell.
- correct_lattice_typestr
Correct lattice type.
- rtolfloat, default
REL_TOL Relative tolerance for numerical comparison.
- atolfloat, default
ABS_TOL Absolute tolerance for numerical comparison.
- Returns:
- S(3,3) numpy.ndarray
Transformation matrix \(S\)