mooonpy.molspace.box module

@author: Josh Kemppainen Revision 1.0 June 15, 2025 Michigan Technological University 1400 Townsend Dr. Houghton, MI 49931

class mooonpy.molspace.box.Box[source]

Bases: object

get_lengths() → list[float][source]: Compute box lengths from box edges.

get_transformation_matrix() → list[list[float]][source]: Generate transformation matrix to convert to and from fractional or Cartesian coordinates using LAMMPS “sparse matrix” setup.