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tilde-lab / aiida-crystal-dft

AiiDA plugin for the ab initio modeling suite CRYSTAL, developed in Turin University
MIT License
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MPDS-AiiDA workflow has internal check inconsistency #54

Open blokhin opened 3 years ago

blokhin commented 3 years ago

See https://github.com/mpds-io/mpds-aiida/blob/7d0886701cac97c03b495c059fec8ea0a963af47/mpds_aiida/workflows/crystal.py#L70

as I understand, this check is dirty and should not be there, but:

self.ctx.structure, error_code = self.get_structure()
if error_code is not None: