From 86d2d26d44075f9379ca513b8404ae342cd07178 Mon Sep 17 00:00:00 2001 From: Oliver Beckstein Date: Tue, 30 Jul 2019 10:00:30 -0700 Subject: [PATCH] add AUTHORS and CHANGES (#85) * 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 --- AUTHORS | 35 +++++++++++++++++++++++++++++++++++ CHANGES | 51 +++++++++++++++++++++++++++++++++++++++++++++++++++ 2 files changed, 86 insertions(+) create mode 100644 AUTHORS create mode 100644 CHANGES diff --git a/AUTHORS b/AUTHORS new file mode 100644 index 00000000..a0091c9e --- /dev/null +++ b/AUTHORS @@ -0,0 +1,35 @@ +.. -*- 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) diff --git a/CHANGES b/CHANGES new file mode 100644 index 00000000..bab67b0c --- /dev/null +++ b/CHANGES @@ -0,0 +1,51 @@ +# -*- 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) +