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Published 20 hours ago • verified publisher icon alchemistry

IEXP estimator

Open ianmkenney opened this issue 7 years ago • 0 comments

Create an IEXP free energy 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