Merge pull request #7 from thangckt/devel

Update ase.py
thangckt · Apr 5, 2024 · aeb569c · aeb569c
2 parents 3ba5933 + 912d78c
commit aeb569c
Showing 1 changed file with 1 addition and 3 deletions.
diff --git a/dpdata/plugins/ase.py b/dpdata/plugins/ase.py
@@ -96,9 +96,7 @@ def from_labeled_system(self, atoms: "ase.Atoms", **kwargs) -> dict:
             "forces": np.array([forces]),
         }
         try:
-            stress = atoms.get_stress(
-                voigt=False
-            )  # not use Voigt notation -> return 3x3 matrix
+            stress = atoms.get_stress(voigt=False)
         except PropertyNotImplementedError:
             pass
         else: