From 8c1373c8ca84502af97c39760bc1ce8762082242 Mon Sep 17 00:00:00 2001 From: Sarath Date: Mon, 21 Oct 2024 12:41:28 +0200 Subject: [PATCH] fix spglib deprecation warnings --- atomrdf/properties.py | 2 +- examples/01_getting_started.ipynb | 4 ++-- 2 files changed, 3 insertions(+), 3 deletions(-) diff --git a/atomrdf/properties.py b/atomrdf/properties.py index 0725538..c0af38c 100644 --- a/atomrdf/properties.py +++ b/atomrdf/properties.py @@ -440,4 +440,4 @@ def _get_symmetry_dict(system): atom_types = system._structure_dict["species"] results = spglib.get_symmetry_dataset((box, direct_coordinates, atom_types)) - return results["international"], results["number"] + return results.international, results.number diff --git a/examples/01_getting_started.ipynb b/examples/01_getting_started.ipynb index 6b9fee7..b7e0549 100644 --- a/examples/01_getting_started.ipynb +++ b/examples/01_getting_started.ipynb @@ -5114,7 +5114,7 @@ ], "metadata": { "kernelspec": { - "display_name": "Python 3 (ipykernel)", + "display_name": "workflow-rdf", "language": "python", "name": "python3" }, @@ -5128,7 +5128,7 @@ "name": "python", "nbconvert_exporter": "python", "pygments_lexer": "ipython3", - "version": "3.11.8" + "version": "3.11.10" } }, "nbformat": 4,