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Published 20 hours ago • verified publisher icon alchemistry

GINS estimator

Open ianmkenney opened this issue 7 years ago • 1 comments

Create a GINS estimator that:

  1. takes u_nk as an argument
  2. computes the free energy differences between each state along with their uncertainties

ianmkenney avatar May 16 '17 22:05 ianmkenney

Note: this is low priority, see https://github.com/alchemistry/alchemlyb/wiki/alchemical-analysis-features

orbeckst avatar Jan 18 '19 18:01 orbeckst