added extras to input structure

nanotech-empa · Oct 3, 2024 · dd31dd0 · dd31dd0
1 parent bec152d
commit dd31dd0
Showing 1 changed file with 3 additions and 1 deletion.
diff --git a/aiida_nanotech_empa/workflows/gaussian/casscf_series_workchain.py b/aiida_nanotech_empa/workflows/gaussian/casscf_series_workchain.py
@@ -267,5 +267,7 @@ def finalize(self):
                         f"{var}_cube_image_folder",
                         self.ctx[var].outputs.cube_image_folder,
                     )
-
+        # Add extras.
+        struc = self.inputs.structure
+        common_utils.add_extras(struc, "surfaces", self.node.uuid)
         return engine.ExitCode(0)