Fix incorrect implementation of logsumexp

choderalab / perses

Experiments with expanded ensembles to explore chemical space

http://perses.readthedocs.io

MIT License

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Closed mikemhenry closed 11 months ago

mikemhenry commented 11 months ago

Off by a_n.max() for the final value, needs to be added back in after the call to log
Use the scipy.special.logsumexp rather than reimplement

Resolves #???

codecov[bot] commented 11 months ago

Merging #1239 (7116a39) into main (6c6419f) will decrease coverage by 3.02%. The diff coverage is 50.00%.

Additional details and impacted files