Skip to content

Commit

Permalink
add AUTHOR and CHANGES
Browse files Browse the repository at this point in the history
- close #4
- add retroactive history
  • Loading branch information
orbeckst committed Nov 6, 2022
1 parent 3cda66b commit bcb21a8
Show file tree
Hide file tree
Showing 2 changed files with 47 additions and 0 deletions.
18 changes: 18 additions & 0 deletions AUTHORS
Original file line number Diff line number Diff line change
@@ -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)


29 changes: 29 additions & 0 deletions CHANGES
Original file line number Diff line number Diff line change
@@ -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

0 comments on commit bcb21a8

Please sign in to comment.