wiederm / endstate_correction

Endstate corrections from MM to QML potential
https://wiederm.github.io/endstate_correction/
MIT License
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First pre-release candidate #44

Closed wiederm closed 2 years ago

wiederm commented 2 years ago

I think it might be time to cut our first pre-release candidate. The package is stable as far as I can tell, we have performed sampling and endstate corrections for the HiPen dataset and what we called internally JCTC dataset.

Are there things that we should add or remove before we cut a release?

wiederm commented 2 years ago

Cut a pre-release version v0.1