Examples

Pyniggli is well documented but we’ll provide some basic usage examples here. To use pyniggli to get the niggli reduced cell and the transformation matrix for a lattice defined by the vectors `a = [1,1,1], b = [2,2,2], c = [3,3,3]’ use pyniggli as follows.

>>> import numpy as np
>>> from pyniggli import reduced_cell

>>> A = np.transpose([[1,1,1],[2,2,2],[3,3,3]])

>>> B = reduced_cell(A)
>>> #For the niggli reduced cell vectors
>>> print(B.niggli)
>>> #For the transformation matrix
>>> print(B.C)