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Solvation settings prep#695

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richardjgowers merged 9 commits intomainOpenFreeEnergy/openfe:mainfrom solvation-prepOpenFreeEnergy/openfe:solvation-prepCopy head branch name to clipboardFeb 6, 2024

+59-92

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Commits on Jan 29, 2024

• towards subclassic solvationsettings

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• Update for OpenMMSolvationSettings

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Commits on Feb 6, 2024

• Merge branch 'main' into solvation-prep

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• extra fixes following merge

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• update expected keys based on new solvation settings

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• regenerated sample results

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• temporarily mark as xfail while in migration

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• update sample data for gather tests

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• remove old doc stubs for solvation

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