molsysmt.pbc.get_volume_from_box#

molsysmt.pbc.get_volume_from_box(box)[source]#

Computing box volume from a box matrix.

Parameters:

box (quantity or None) – Box matrix (single or array), shape (3, 3) or (n, 3, 3).

Returns:

  • quantity or None – Volume in cubic length units, or None if no box.

  • .. versionadded:: 1.0.0