IMPORTANT: This also fixes a critical bug for very small unit cells: if the cutoff radius for symmetry functions is larger than one (or multiple) cell vector lengths the force summation did not include contributions from periodic images of the central atom itself.
IMPORTANT: This also fixes a critical bug for very small unit cells: if the cutoff radius for symmetry functions is larger than one (or multiple) cell vector lengths the force summation did not include contributions from periodic images of the central atom itself.