Closed esoteric-ephemera closed 9 months ago
All modified and coverable lines are covered by tests :white_check_mark:
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Would be good to add a test for the summary_stats
attribute in emmet-core/tests/test_calculation.py.
For consistency with pymatgen, which now includes the ability to validate POTCARs without hashing (see PMG PR #3351), added a
summary_stats
attribute toemmet.core.vasp.calculation.PotcarSpec
.summary_stats
is just a dict with structureThis will help in adding new the POTCAR validation scheme to emmet.