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Importing logsumexp from scipy.special in Multistateanalyzer #1162

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merged 1 commit into from May 23, 2019
Merged

Importing logsumexp from scipy.special in Multistateanalyzer #1162

merged 1 commit into from May 23, 2019

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dprada
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@dprada dprada commented May 20, 2019

There was a logsumexp left to be fixed: in the file multistateanalyzer.
This was probably the source of the errors reported by Travis CI.

@jchodera jchodera requested a review from andrrizzi May 20, 2019 20:28
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Thanks for the fix, @dprada! We migrated YANK to use the new openmmtools.multistate functionality, but haven't yet removed those files from the YANK repo, so it looks like we need to fix it in http://github.com/choderalab/openmmtools instead

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Looks great, thank you! I think we can merge this and then wait for an openmmtools bugfix release maybe (and let tests pass) before merging #1160.

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3 participants