radtools.BCT_standardize_cell

radtools.BCT_standardize_cell(cell, rtol=0.0001, atol=1e-08)

Analyse arbitrary cell and redefine vectors if required to satisfy the BCT lattice conditions.

See Body-centred tetragonal (BCT) for the details.

Parameters:

cell(3,3) numpy.ndarray

Primitive unit cell.

rtolfloat, default REL_TOL

Relative tolerance for numerical comparison.

atolfloat, default ABS_TOL

Absolute tolerance for numerical comparison.

Returns:

cell(3,3) numpy.ndarray

Primitive unit cell.