diff --git a/simulationworkflownormalizer/normalizer.py b/simulationworkflownormalizer/normalizer.py index 88c99bb..4a04afb 100644 --- a/simulationworkflownormalizer/normalizer.py +++ b/simulationworkflownormalizer/normalizer.py @@ -40,7 +40,7 @@ def __init__(self): self._molecular_dynamics_programs = ['lammps'] def _resolve_workflow(self, archive: EntryArchive): - if not self.entry_archive.run: + if not archive.run: return # resolve it from parser @@ -66,7 +66,7 @@ def _resolve_workflow(self, archive: EntryArchive): if workflow is None: # workflow references always to the last run # TODO decide if workflow should map to each run - if len(self.entry_archive.run[-1].calculation) == 1: + if len(archive.run[-1].calculation) == 1: workflow = SinglePoint() else: workflow = GeometryOptimization()