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OpenBioSim / somd2 Public

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Add support for using a custom list of lambda values#42

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mb2055 merged 5 commits intomainOpenBioSim/somd2:mainfrom feature_lambda_valuesOpenBioSim/somd2:feature_lambda_valuesCopy head branch name to clipboard

Apr 25, 2024

+223-30

Conversation Commits5 (5)Checks Files changed

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Commits on Apr 24, 2024

Add support for using a custom list of lambda values. [closes #41 ]
lohedges
committed
Add support for sampling energies at different lambda values.
lohedges
committed
Fix lambda_array stored in checkpoint metadata.
lohedges
committed
Use class attribute, not Config attribute.
lohedges
committed

Commits on Apr 25, 2024

Use lambda window value for in filename rather than index.
lohedges
committed

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