Merge branch 'PR' into devel

Signed-off-by: C. Thang Nguyen <[email protected]>
thangckt · Apr 5, 2024 · 188f945 · 188f945
2 parents 1a322ce + 6e2df4d
commit 188f945
Showing 1 changed file with 3 additions and 1 deletion.
diff --git a/dpdata/plugins/ase.py b/dpdata/plugins/ase.py
@@ -96,7 +96,9 @@ 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
+            )  # not use Voigt notation -> return 3x3 matrix
         except PropertyNotImplementedError:
             pass
         else: