Closed janosh closed 1 year ago
Merging #54 (59d04e044e9d196968f833a055bddad729be2c0c) into main
(a42cb35d3f4ac207c215065b96f05bf80a57bd6a) - See PR on Codacy
Coverage variation | Diff coverage |
---|---|
Report missing for a42cb35d3f4ac207c215065b96f05bf80a57bd6a[^1] | 87.50% |
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I think it might be cleaner to add
return_atom_feas
andreturn_crystal_feas
to thePredTask
typehttps://github.com/CederGroupHub/chgnet/blob/84b7c30b96b305f34abfbd8e966bac717e9723ae/chgnet/__init__.py#L15
i.e.
This is a breaking change but I think it would make the code cleaner (see number of added/deleted lines = 51/174).