Comments (2)
Thanks for reporting. This is due to the old version of pyscal3. Now the conda recipe is being updated which will fix the issue.
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fixed in v0.1.7
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Related Issues (14)
- species is a necessary input in StructureGraph
- `process_structure` method does not work
- query results could be a pandas dataframe
- possible datasets
- Autoquery needs fixing HOT 1
- Possible discussion aspects
- Problem with query_sample function HOT 1
- hasNumberOfAtoms field showing wrong numbers HOT 2
- Towards v1.0 HOT 1
- LatticeAngle for HCP angle should be 90, 90, 120
- Volume calculation error HOT 2
- System returned from get_system_from_sample does not have a graph variable in it
- Predicate should be hasChemicalSymbol instead of hasSymbol HOT 2
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