From 7150445a49a0476bbbba897270a93b96641e8fb4 Mon Sep 17 00:00:00 2001 From: Jan Janssen Date: Tue, 30 Jan 2024 09:04:59 +0100 Subject: [PATCH] Update symmetry.py --- atomistics/workflows/elastic/symmetry.py | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/atomistics/workflows/elastic/symmetry.py b/atomistics/workflows/elastic/symmetry.py index c4783a43..e885677b 100644 --- a/atomistics/workflows/elastic/symmetry.py +++ b/atomistics/workflows/elastic/symmetry.py @@ -11,9 +11,9 @@ def ase_to_spglib(structure): TODO: Optional vectors should be available. """ return ( - np.array(cell.get_cell().T, dtype="double", order="C"), - np.array(cell.get_scaled_positions(), dtype="double", order="C"), - np.array(cell.get_atomic_numbers(), dtype="intc"), + np.array(structure.get_cell().T, dtype="double", order="C"), + np.array(structure.get_scaled_positions(), dtype="double", order="C"), + np.array(structure.get_atomic_numbers(), dtype="intc"), )