CHANGES

# -*- tab-width: 2; indent-tabs-mode: nil; coding: utf-8 -*-
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 alchemlyb CHANGELOG
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The rules for this file:
  * entries are sorted newest-first.
  * summarize sets of changes - don't reproduce every git log comment here.
  * don't ever delete anything.
  * keep the format consistent (79 char width, M/D/Y date format) and do not
    use tabs but use spaces for formatting
  * accompany each entry with github issue/PR number (Issue #xyz)
  * release numbers follow "Semantic Versioning" http://semver.org

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*/*/2019 dotsdl, orbeckst, shuail, trje3733, brycestx, harlor, vtlim, lee212

  * 0.2.0

Enhancements
  - Amber TI parser (#10)
  - Amber FEP (MBAR) parser (#42)
  - Gromacs extended ensemble parser (#14)
  - NAMD FEP parser (#7, #75)
  - BAR estimator (#40)
  - enhanced performance of Gromacs parsers with pandas.read_csv() (#81)
  - GOMC TI and FEP parser (#77)

Deprecations

Fixes
  - fixed TI estimator (PR #61)
  - correctly use pV and U in the Gromacs parser (#59)

Changes
  - defaults for statistical_inefficiency() are more conservative (#39)


05/27/2017 dotsdl, ianmkenney, orbeckst

  * 0.1.0

First release

Features:

    - Parsers for GROMACS, including reduced potentials and gradients.
    - Subsampler functions for slicing, statitistical inefficiency, equilibration detection.
    - Minimally functional estimators for MBAR, TI.
    - high test coverage (works with data in alchemistry/alchemtests)