From bcb21a8167e6c4a4641a4af58156dd0b7b46e443 Mon Sep 17 00:00:00 2001 From: Oliver Beckstein Date: Sun, 6 Nov 2022 14:44:51 -0700 Subject: [PATCH] add AUTHOR and CHANGES - close #4 - add retroactive history --- AUTHORS | 18 ++++++++++++++++++ CHANGES | 29 +++++++++++++++++++++++++++++ 2 files changed, 47 insertions(+) create mode 100644 AUTHORS create mode 100644 CHANGES diff --git a/AUTHORS b/AUTHORS new file mode 100644 index 0000000..810e628 --- /dev/null +++ b/AUTHORS @@ -0,0 +1,18 @@ +.. -*- coding: utf-8 -*- + +=================== + Authors of flamel +=================== + +flamel is a command line interface to alchemlyb. It was started by +Dominik Wille @harlor as a replacement for the alchemical-analysis.py +script. + + +Chronological list of authors +----------------------------- + +2018 + - Dominik Wille (@harlor) + + diff --git a/CHANGES b/CHANGES new file mode 100644 index 0000000..fe31c0b --- /dev/null +++ b/CHANGES @@ -0,0 +1,29 @@ +# -*- tab-width: 2; indent-tabs-mode: nil; coding: utf-8 -*- +==================== + flamel 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, ISO 8601 date format + YYYY-MM-DD) 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" https://semver.org + +------------------------------------------------------------------------------ + + +2018-11-26 harlor + + * 0.1.0 + +First release (actual release day: 2022-11-06, using @harlor's +original code dating back to 2018). + +Features + +- plugin-based system +- currently only Gromacs parser and uncorrelation by dH/dl is supported +- reproduces TI, BAR, and MBAR results from alchemical-analysis.py \ No newline at end of file