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MPDS-AiiDA workflow has internal check inconsistency #54

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blokhin opened this issue Mar 28, 2021 · 0 comments
Open

MPDS-AiiDA workflow has internal check inconsistency #54

blokhin opened this issue Mar 28, 2021 · 0 comments
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@akvatol
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bug Something isn't working enhancement New feature or request

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@blokhin
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blokhin commented Mar 28, 2021

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:
@blokhin blokhin added bug Something isn't working enhancement New feature or request labels Mar 28, 2021
@blokhin blokhin assigned akvatol and unassigned ansobolev Jul 21, 2024
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@blokhin @ansobolev @akvatol