Return NotImplemented -> Raise NotImplementedError

esoteric-ephemera · Aug 28, 2024 · 902823d · 902823d
1 parent ff44149
commit 902823d
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diff --git a/src/atomate2/ase/jobs.py b/src/atomate2/ase/jobs.py
@@ -89,12 +89,12 @@ def run_ase(
             A previous calculation directory to copy output files from. Unused, just
                 added to match the method signature of other makers.
         """
-        return NotImplemented
+        raise NotImplementedError
 
     @property
     def calculator(self) -> Calculator:
         """ASE calculator, method to be implemented in subclasses."""
-        return NotImplemented
+        raise NotImplementedError
 
 
 @dataclass

diff --git a/src/atomate2/ase/md.py b/src/atomate2/ase/md.py
@@ -383,7 +383,7 @@ def _callback(dyn: MolecularDynamics = md_runner) -> None:
     @property
     def calculator(self) -> Calculator:
         """ASE calculator, to be overwritten by user."""
-        return NotImplemented
+        raise NotImplementedError
 
 
 @dataclass