Code

cli: gather raw option#620

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richardjgowers merged 9 commits intomainOpenFreeEnergy/openfe:mainfrom issue_557_gather_per_legOpenFreeEnergy/openfe:issue_557_gather_per_legCopy head branch name to clipboardNov 17, 2023

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Commits on Nov 15, 2023

• fixes issue #618

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• cli: add --report raw option to gather

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• add doc to cli for gather raw option

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• cli: add test for gather raw

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• cli: gather, remove dg-raw option

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• Update openfecli/commands/gather.py

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• Update environment.yml

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Commits on Nov 16, 2023

• change tyk2 regression to use gather --report ddg

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• fixup raw gather test to include MBAR uncertainty label

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