wiederm / endstate_correction

Endstate corrections from MM to QML potential
https://wiederm.github.io/endstate_correction/
MIT License
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Smoothen the interface #59

Closed xiki-tempula closed 1 year ago

xiki-tempula commented 1 year ago

Description

I'm going to call endstate correction from asfe. This PR, I will try to smooth the interface to make it easier to be called and easier to read.

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

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Status

codecov-commenter commented 1 year ago

Codecov Report

Merging #59 (65efe32) into main (32ba18f) will not change coverage. The diff coverage is 100.00%.

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Additional details and impacted files
xiki-tempula commented 1 year ago

@wiederm Initially, I thought that I need a more complex interface, now I think a float is enough for this purpose.