Use MBAR Relative Tolerance in solvers#571
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badisa wants to merge 1 commit intochoderalab:mainfrom
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Thanks for seeing this. We are updating a few more things for the solver, so we may wait a bit before integrating this to make sure we integrate everything together. |
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While running some simulations I noticed that despite passing
relative_tolerance=1e-7to the MBAR object, the warnings about convergence indicated that the tolerance was set to1e-12. This PR makes sure to pass the relative tolerance all the way down to thesolve_mbarmethod.