molsysmt.pbc.get_lengths_from_box#

molsysmt.pbc.get_lengths_from_box(box, skip_digestion=False)[source]#

Extracting box edge lengths from a box matrix.

Parameters:
  • box (quantity) – Box matrix (single or array), shape (3, 3) or (n, 3, 3).

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

Returns:

  • quantity – Edge lengths (a, b, c) in the same units as the input.

  • .. versionadded:: 1.0.0