Optionally allow None for missing pseudos in a family#193
Optionally allow None for missing pseudos in a family#193edan-bainglass wants to merge 3 commits intoaiidateam:mainfrom
None for missing pseudos in a family#193Conversation
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@t-reents @mbercx no rush on this and also okay to drop. I realized in the app I can just replace I'll let you decide if this should close or merge. I'm good either way. |
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True, that's a solution as well! As I told you in person, I was thinking that this change is fine, as it's backwards compatible and having in mind the use-case in the app. In summary, no strong opinion at my end but a preference towards the current behavior. I'd leave it up to @mbercx to make a final decision |
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Alternative solution working as expected. Closing this. |
At the moment, using
PseudoPotentialFamily.get_pseudos()will fail for all if at least one element does not have a corresponding pseudopotential in the family. This PR aims to allow a path for partial results, returningNonefor those missing elements, if user opt in by way of an optionalnone_if_missingparameter (Falseby default for backwards compatibility).This allows the QE app, for example, to do this: