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ABFE workflow cannot handle 0 or False for forwrev #276

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xiki-tempula opened this issue Dec 2, 2022 · 0 comments · Fixed by #282
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ABFE workflow cannot handle 0 or False for forwrev #276

xiki-tempula opened this issue Dec 2, 2022 · 0 comments · Fixed by #282
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xiki-tempula commented Dec 2, 2022 •
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if I don't need to do convergence analysis, I will usually do ABFE(forwrev=None) and if I want to do convergence analysis, I will do ABFE(forwrev=10), these two ways of using ABFE are all fine. However, if someone does ABFE(forwrev=0) or ABFE(forwrev=False), the workflow will crash.
@orbeckst orbeckst added this to the 1.0.1 milestone Dec 5, 2022
@xiki-tempula xiki-tempula mentioned this issue Dec 5, 2022
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@xiki-tempula xiki-tempula mentioned this issue Dec 7, 2022
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xiki-tempula added a commit that referenced this issue Dec 9, 2022
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Fix #276 (#282)
d2c664d 
* refactor ABFE tests

* update

* update

* update

* update changelog
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Fix #276 xiki-tempula/alchemlyb
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