Hotfix

07-tddft/support.py

@@ -207,9 +207,9 @@ class Volumetric:
         )
         basename = file.replace(".gbw", "")
         if mode == "mo":
-            cubefile = f"{basename}.mo{index}a.cube"
+            cubefile = f"{basename}.mo{index:02d}a.cube"
         if mode == "diffdens":
-            cubefile = f"{basename}.cisdp{index}.cube"
+            cubefile = f"{basename}.cisdp{index:02d}.cube"
         out = Volumetric.from_cube_file(cubefile)
         os.remove(cubefile)
         return out