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Published 20 hours ago • verified publisher icon choderalab

Use `LocalEnergyMinimizer` instead of `FireMinimizer`

Open ijpulidos opened this issue 1 year ago • 1 comments

We want to use the LocalEnergyMinimizer instead of the FireMinimizer in the multistate sampler. Supersedes #557

ijpulidos avatar Mar 21 '23 15:03 ijpulidos

We need to figure out if we should let the users specify the minimizer they want to use in the MultiStateSampler instance, or if we only want to support a fixed one.

ijpulidos avatar Mar 28 '23 15:03 ijpulidos