nomad-coe / nomad

NOMAD lets you manage and share your materials science data in a way that makes it truly useful to you, your group, and the community.
https://nomad-lab.eu
Apache License 2.0
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TypeError: The value birch_murnaghan is not an enum value for quantity nomad.datamodel.results.EnergyVolumeCurve.type:Quantity #37

Closed ondracka closed 1 year ago

ondracka commented 1 year ago

The metainfo browser claims birch_murnaghan is valid type: https://nomad-lab.eu/prod/v1/gui/analyze/metainfo/EntryArchive/workflow/equation_of_state/eos_fit/function_name looks like it is not.

Testcase here: eos.archive.zip

ladinesa commented 1 year ago

Yes, there is indeed a mismatch in the workflow metainfo def and the valid names in results. In results, there is no birch_murnaghan which unfortunately is the most commonly used fit function for this purpose. I will put up a fix.

ondracka commented 1 year ago

Thanks for the quick fix.