Update statistical inefficiency calculation with statistical_inefficiency in alchemlyb 2.1.0#250
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Update statistical inefficiency calculation with statistical_inefficiency in alchemlyb 2.1.0#250
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orbeckst
requested changes
Jun 28, 2023
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I'll ignore the other failures, see PR #249 for discussion. |
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With alchemlyb >= 2 we can also go back to MBAR (AutoMBAR is not necessary anymore is/will be removed from alchemlyb) basically revert PR #234. |
- pymbar >= 4 - alchemlyb >= 2 - update CHANGES (and some other fixes)
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