find_asymmetric_positions

diffsims.structure_factor.find_asymmetric_positions(positions, space_group)

Return the asymmetric atom positions among a set of positions when considering symmetry operations defined by a space group.

Parameters:

positionslist

A list of cartesian atom positions.

space_groupdiffpy.structure.spacegroupmod.SpaceGroup

Space group describing the symmetry operations.

Returns:

numpy.ndarray

Asymmetric atom positions.