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add AUTHORS and CHANGES (#85)
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* add AUTHORS and CHANGES
* close #83
* close #84
* files were manually created based on the history (`git log --format="format:%an %ad" --date="format:%Y" 0.1.0..HEAD | sort | uniq)`  and the merged PRs and closed issues
* add NAMD parser to CHANGES
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orbeckst authored Jul 30, 2019
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35 changes: 35 additions & 0 deletions AUTHORS
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.. -*- coding: utf-8 -*-

======================
Authors of alchemlyb
======================

The alchemlyb project is led by Oliver Beckstein (@orbeckst), David
Mobley (@davidlmobley), and Michal Shirts (@mrshirts). alchemlyb was
originally created by David Dotson (@dotsdl).

All contributing authors are listed in this file below. Full name and
GitHub handle are preferred. The repository history at
https://github.com/alchemistry/alchemlyb and the CHANGES file show
individual code contributions.


Chronological list of authors
-----------------------------

2016
- David Dotson (@dotsdl)
- Ian Kenney (@ianmkenney)

2017
- Oliver Beckstein (@orbeckst)
- Shuai Liu (@shuail)
- Travis Jensen (@trje3733)

2018
- Bryce Allen (@brycestx)
- Dominik Wille (@harlor)

2019
- Victoria Lim (@vlim)
- Hyungro Lee (@lee212)
51 changes: 51 additions & 0 deletions CHANGES
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# -*- tab-width: 2; indent-tabs-mode: nil; coding: utf-8 -*-
====================
alchemlyb CHANGELOG
=====================

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

------------------------------------------------------------------------------

*/*/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)

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)

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