cbc-univie / transformato

Set up relative free energy calculations using a common scaffold

https://cbc-univie.github.io/transformato/

MIT License

22 stars 6 forks source link

Closed JohannesKarwou closed 2 years ago

JohannesKarwou commented 2 years ago

Description

It might be helpful to get more information on how good or bad the overlap is, without looking at the path.

[x] The current idea would be to throw a warning message if the overlap is below 0.01
[x] It might be also helpful to highlight the fields with low overlap in the overlap seaborn plot

codecov-commenter commented 2 years ago

Merging #82 (c921c67) into master (2ba2435) will decrease coverage by 0.30%. The diff coverage is 5.55%.