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Retain Structure.properties in structure_from_abivars()/structure_to_abivars() round trip #3552

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merged 3 commits into from
Jan 15, 2024

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@janosh janosh commented Jan 15, 2024

734a8d2 retain Structure.properties in structure_from_abivars()/structure_to_abivars() round trip
4cd5949 test_structure.py add self.struct.properties["foo"] = "bar" for test_to_from_abivars()

@janosh janosh added compatability Concerning pymatgen compatibility with different OS, Python versions, numpy versions, etc. io Input/output functionality fix Bug fix PRs labels Jan 15, 2024
@janosh janosh force-pushed the fix-abivars-as-dict-dropping-struct-props branch from 4cd5949 to 4095527 Compare January 15, 2024 08:57
@janosh janosh enabled auto-merge (squash) January 15, 2024 08:58
…f.value[-1], str) and self.value[-1] in _UNITS:

E       KeyError: -1

pymatgen/pymatgen/io/abinit/variable.py:43
@janosh janosh merged commit 31981d5 into master Jan 15, 2024
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@janosh janosh deleted the fix-abivars-as-dict-dropping-struct-props branch January 15, 2024 12:05
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