molsysmt.pbc.get_box_from_lengths_and_angles#

molsysmt.pbc.get_box_from_lengths_and_angles(box_lengths, box_angles, skip_digestion=False)[source]#

Building a box matrix from lengths and angles.

Parameters:

  • box_lengths (quantity) – Box edge lengths (a, b, c) with units.

  • box_angles (quantity) – Box angles (alpha, beta, gamma) with units.

  • skip_digestion (bool, default False) – Whether to skip argument digestion.

Returns:

  • quantity – Box matrix of shape (3, 3) with the same length units as the input.

  • .. versionadded:: 1.0.0