cubochoric_quaternions

anri.crystal.cubochoric_quaternions(semi_edge_steps)

Quaternions of the cubochoric grid of rotations, uniform in volume (Rosca et al., 2014; Singh & De Graef, 2016).

The grid has (2 N)^3 points on the cube of edge pi^(2/3), the identity among them: indices -N + 1 … N along each edge, since opposite faces of the cube are the same rotations (as orix’s cubochoric_sampling).

Parameters:

semi_edge_steps (int) – N, the grid points along the cube’s semi-edge

Returns:

np.ndarray – [(2 N)^3, 4] quaternions (w, x, y, z)