fix spglib deprecation warnings

pyscal · Oct 21, 2024 · 8c1373c · 8c1373c
1 parent 16136d2
commit 8c1373c
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Showing 2 changed files with 3 additions and 3 deletions.
diff --git 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
@@ -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,