CHANGES

# -*- 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

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2022-??-??  xiki-tempula

  * 0.3.2
  
Fixes

- enable logger output for -v (issue #25)


2022-12-06  xiki-tempula, hejamu

  * 0.3.1

Fixes

- Handle 0 as input to the forwrev (Issue #18/ PR #20).


2022-11-09  xiki-tempula, orbeckst

  * 0.3.0

Complete rewrite of the package, it is generally considered
incompatible with previous releases. See Discussion #12
https://github.com/alchemistry/flamel/discussions/12 for background.

Changes

- Removed plugin-based system and changed into a thin CLI to access
  alchemlyb.workflows (see Discussion #12).

Enhancements

- plotting output from ABFE workflow (issue #7)
- pip installable (issue #3)
- supports Python 3.11


2021-09-21  hejamu, schlaicha

  * 0.2.0

Enhancements

- pickle output


Fixes

- corrected unit handling
- reading of GROMACS input files


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