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- close #4 - add retroactive history
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.. -*- coding: utf-8 -*- | ||
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=================== | ||
Authors of flamel | ||
=================== | ||
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flamel is a command line interface to alchemlyb. It was started by | ||
Dominik Wille @harlor as a replacement for the alchemical-analysis.py | ||
script. | ||
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Chronological list of authors | ||
----------------------------- | ||
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2018 | ||
- Dominik Wille (@harlor) | ||
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# -*- tab-width: 2; indent-tabs-mode: nil; coding: utf-8 -*- | ||
==================== | ||
flamel CHANGELOG | ||
===================== | ||
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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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------------------------------------------------------------------------------ | ||
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2018-11-26 harlor | ||
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* 0.1.0 | ||
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First release (actual release day: 2022-11-06, using @harlor's | ||
original code dating back to 2018). | ||
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Features | ||
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- plugin-based system | ||
- currently only Gromacs parser and uncorrelation by dH/dl is supported | ||
- reproduces TI, BAR, and MBAR results from alchemical-analysis.py |