diff --git a/dpdata/abacus/relax.py b/dpdata/abacus/relax.py index 3b334ab92..c9d7a669d 100644 --- a/dpdata/abacus/relax.py +++ b/dpdata/abacus/relax.py @@ -68,6 +68,7 @@ def get_coords_from_log(loglines,natoms): else: cells.append(cells[-1]) + coords[-1] = np.array(coords[-1]) if direct_coord: coords[-1] = coords[-1].dot(cells[-1])