IAlibay / saltpy

A python toolset for calculating and adding salt concentration to solvated atomistic systems

GNU Lesser General Public License v3.0

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Closed IAlibay closed 2 years ago

IAlibay commented 2 years ago

Fixes #7 Completes #6

Description

Pretty much in the title, also swapped out the CI badges

codecov[bot] commented 2 years ago

Merging #9 (89f8155) into main (3f96a18) will not change coverage. The diff coverage is n/a.

IAlibay commented 2 years ago

FYI - can't test on Windows because gmx doesn't provide a conda install for windows (also I don't even know if you can compile gmx on windows)

IAlibay commented 2 years ago

MDA 2.0 works out of the box, added badge just to make it look fancier than it is