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wiederm / endstate_correction

Endstate corrections from MM to QML potential
https://wiederm.github.io/endstate_correction/
MIT License
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Dev analysis #7

Closed wiederm closed 2 years ago

wiederm commented 2 years ago

Description

Adding convenience functions to help with analysis of NEQ and staged free energy simulations

Todos

Notable points that this PR has either accomplished or will accomplish.

Status

codecov-commenter commented 2 years ago

Codecov Report

Merging #7 (9e1a1cc) into main (c62d657) will increase coverage by 3.79%. The diff coverage is 37.68%.