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V1.1.0

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@ijrouse ijrouse released this 14 Feb 11:31

Updates to PMFPredictor following publication of the paper and minor improvements over the past year. Main changes:

  1. Input potentials have been updated to also include methane adsorption under competition with water at the same location.
  2. New potential is internally generated from the estimated E(r0) and EMin values.

Full Changelog: v0.5.1-alpha...v1.1.0