Update dft.py

Signed-off-by: Zishen Wang <[email protected]>
materialsvirtuallab · Sep 22, 2024 · df87393 · df87393
1 parent 546bf2d
commit df87393
Showing 1 changed file with 2 additions and 2 deletions.
diff --git a/src/maml/apps/bowsr/model/dft.py b/src/maml/apps/bowsr/model/dft.py
@@ -72,6 +72,6 @@ def predict_energy(self, structure: Structure):
             compat = MaterialsProjectCompatibility()
             vrun = Vasprun("vasprun.xml")
             entry = compat.process_entry(vrun.get_computed_entry())
-            return (entry.energy - sum(elements[el]["energy_per_atom"] * amt for el, amt in el_amt_dict.items())) / len(
+            return (entry.energy - sum(elements[el]["energy_per_atom"] * amt for el, amt in el_amt_dict.items())) / len(  # type: ignore
                 structure
-            )    # type: ignore
+            )