reduce_box_vectors

mdcraft.algorithm.topology.reduce_box_vectors(vectors: ndarray[float]) → ndarray[float]

Performs lattice reduction on box vectors.

Parameters:

vectorsnumpy.ndarray

Box vectors \(\mathbf{a}\), \(\mathbf{b}\), and \(\mathbf{c}\), provided as rows in a matrix.

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

Reference unit: \(\mathrm{nm}\).

Returns:

reduced_vectorsnumpy.ndarray

Reduced box vectors.

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

Reference unit: \(\mathrm{nm}\).