Bugfix for additional info from ase

zincware · Dec 15, 2023 · b7d8984 · b7d8984
1 parent 42302a5
commit b7d8984
Showing 1 changed file with 3 additions and 1 deletion.
diff --git a/zndraw/frame.py b/zndraw/frame.py
@@ -82,7 +82,9 @@ def from_atoms(cls, atoms: ase.Atoms):
         """
         Creates an instance of the frame class from an ase.Atoms object
         """
-        frame = cls(**atoms.arrays)
+        data = atoms.arrays
+
+        frame = cls(positions=data["positions"], numbers=data["numbers"])
 
         frame.cell = np.array(atoms.cell)
         frame.pbc = atoms.pbc