alchemistry/alchemlyb: 2.0.1
- Oliver Beckstein
- David Dotson
- Zhiyi Wu
- Dominik Wille
- Domenico Marson
- Ian Kenney
- shuail
- Hyungro Lee
- trje3733
- Victoria Lim
- Alexander Schlaich
- Irfan Alibay
- Jérôme Hénin
- Mohammad Soroush Barhaghi
- Pascal Merz
- Tom Joseph
- Wei-Tse Hsu
Publication date
April 2023
DOIAbstract
New patch release with bug fix. What's Changed Fix the dE method in u_nk2series to use the difference between two lambda columns instead of using the next lambda column or the previous column for the last window (issue #299, PR #300). @xiki-tempula workaround hanging tests on Mac M1 by using Path.glob instead of glob.glob in ABFE workflow (issue #309, PR #310). @xiki-tempula Full Changelog: https://github.com/alchemistry/alchemlyb/compare/2.0.0...2.0.
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