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Acellera / htmd

HTMD: Programming Environment for Molecular Discovery
https://software.acellera.com/docs/latest/htmd/index.html
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Incorrectly set actionspace in AdaptiveBandit #1011

Closed DanielWicz closed 2 years ago

DanielWicz commented 2 years ago

In the docstring the actionspace is set by default as actionspace='metric' (line 206). In the code it is set to tica.

stefdoerr commented 2 years ago

The code is more up to date than the docs. I'll update the docs instead. Thanks for pointing it out.

stefdoerr commented 2 years ago

https://github.com/Acellera/htmd/commit/163b86f84c7d11395484b5fb5cf6bf485b7bf1c3