get_cell_representation

mdcraft.algorithm.topology.get_cell_representation(rep: ndarray[float], output: str, /) → ndarray[float]

Gets the desired cell representation given a starting cell representation.

Parameters:

repnumpy.ndarray, positional-only

Starting cell representation. Can be system dimensions, lattice parameters, or box vectors.

Shape: \((3,)\), \((6,)\), or \((3,\,3)\).

outputstr, positional-only

Desired cell representation format.

Valid values: "dimensions", "parameters", and "vectors".

Returns:

representationnumpy.ndarray

Desired cell representation.

Shape: \((3,)\), \((6,)\), or \((3,\,3)\).