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Document rare structure dependence of MaterialsProjectCompatibility corrections #2731

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Merged
merged 3 commits into from
Nov 9, 2022

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janosh
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@janosh janosh commented Nov 9, 2022

Closes #2730.

Relevant commit in this PR is d1f6f92.

@rkingsbury
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Thanks @janosh ! There appear to be a bunch of linting changes in here in other parts of pymatgen. Not sure if that was intentional or not; no objections, just calling your attention to it.

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coveralls commented Nov 9, 2022

Coverage Status

Coverage remained the same at 0.0% when pulling 912897f on docs-mp2020-compat-structure-dependence into a77c088 on master.

@janosh janosh enabled auto-merge (squash) November 9, 2022 22:42
@janosh janosh merged commit 29b0552 into master Nov 9, 2022
@janosh janosh deleted the docs-mp2020-compat-structure-dependence branch November 9, 2022 22:59
lbluque pushed a commit to lbluque/pymatgen that referenced this pull request Nov 11, 2022
…orrections (materialsproject#2731)

* str refactors

* document rare structure dependence of MPCompat energy corrections

* incorporate feedback from @rkingsbury
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Split energy corrections into structure/composition-dependent terms in entry.energy_adjustments
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