Box Module

Contains data structures for simulation boxes.

Simulation Box

class freud.box.Box(*args, **kwargs)

The freud Box class for simulation boxes.

Module author: Carl Simon Adorf <csadorf@umich.edu>

For more information about the definition of the simulation box, please see:

http://hoomd-blue.readthedocs.io/en/stable/box.html

Parameters:

• Lx (float) – Length of side x
• Ly (float) – Length of side y
• Lz (float) – Length of side z
• xy (float) – Tilt of xy plane
• xz (float) – Tilt of xz plane
• yz (float) – Tilt of yz plane
• is2D (bool) – Specify that this box is 2-dimensional, default is 3-dimensional.

classmethod cube(L)

Construct a cubic box.

Parameters:L (float) – The edge length

classmethod from_box(box)

Initialize a box instance from another box instance.

classmethod from_matrix(boxMatrix, dimensions=None)

Initialize a box instance from a box matrix.

For more information and the source for this code, see: http://hoomd-blue.readthedocs.io/en/stable/box.html

classmethod square(L)

Construct a 2-dimensional box with equal lengths.

Parameters:L (float) – The edge length

to_matrix()

Returns the box matrix (3x3).

to_tuple()

Returns the box as named tuple.