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TI_CUBIC estimator #21

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ianmkenney opened this issue May 16, 2017 · 1 comment
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TI_CUBIC estimator #21

ianmkenney opened this issue May 16, 2017 · 1 comment
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estimators help wanted

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@ianmkenney
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ianmkenney commented May 16, 2017 •
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Create a TI_CUBIC estimator that:

  1. takes dHdl as an argument
  2. computes the free energy differences between each state along with their uncertainties
@orbeckst
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Low priority in https://github.com/alchemistry/alchemlyb/wiki/alchemical-analysis-features

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