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Add Composition.charge and charge_balanced properties #3471

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merged 4 commits into from
Nov 13, 2023

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@janosh janosh commented Nov 13, 2023

c47cf6d breaking: add Substitutor.charge_balanced_tol: float = 1e-9 used in _is_charge_balanced(), prev had to be strictly 0
5945e95 refactor
723a562 Composition add properties charge and charge_balanced
c5f8c7b Add TestComposition.test_is_charge_balanced

@janosh janosh added enhancement A new feature or improvement to an existing one core Pymatgen core labels Nov 13, 2023
@janosh janosh enabled auto-merge (squash) November 13, 2023 01:08
@janosh janosh merged commit b263508 into master Nov 13, 2023
@janosh janosh deleted the composition-charge-balanced-property branch November 13, 2023 01:23
@janosh janosh changed the title Add Composition.charge and charge_balanced` properties Add Composition.charge and charge_balanced properties Nov 13, 2023
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