diff --git a/src/nomad_simulations/schema_packages/model_method.py b/src/nomad_simulations/schema_packages/model_method.py index 36822191..2ef35b89 100644 --- a/src/nomad_simulations/schema_packages/model_method.py +++ b/src/nomad_simulations/schema_packages/model_method.py @@ -202,7 +202,7 @@ def normalize(self, archive: 'EntryArchive', logger: 'BoundLogger') -> None: self.libxc_name = libxc_name_weight + self.libxc_name # ! check with @ndaelman-hu if this makes sense (COMMENTED OUT FOR NOW) - # Appending `"+alpha"` in `libxc_name` for hybrids in which the `exact_exchange_mixing_factoris` included + # Appending `"+alpha"` in `libxc_name` for hybrids in which the `exact_exchange_mixing_factor` is included # libxc_name_alpha = '' # if ( # self.name == 'hybrid' @@ -349,7 +349,9 @@ def resolve_jacobs_ladder( continue try: - highest_rung_abbrev = max(abbrevs, key=lambda x: rung_order[x]) + highest_rung_abbrev = ( + max(abbrevs, key=lambda x: rung_order[x]) if abbrevs else None + ) except KeyError: return 'unavailable' return self._jacobs_ladder_map.get(highest_rung_abbrev, 'unavailable')