diff --git a/parastell/utils.py b/parastell/utils.py index 2e32a9f..ae2bd34 100644 --- a/parastell/utils.py +++ b/parastell/utils.py @@ -31,8 +31,7 @@ def enforce_helical_symmetry(matrix): Returns: matrix (2-D iterable of float): helically symmetric matrix. """ - num_rows = matrix.shape[0] - num_columns = matrix.shape[1] + num_rows, num_columns = matrix.shape # Ensure rows represent closed loops for idx in range(num_rows):