Becksteinlab / MDPOW

Calculation of water/solvent partition coefficients with Gromacs.
https://mdpow.readthedocs.io
GNU General Public License v3.0
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replace scipy.integrate.simps with simpson #282

Closed orbeckst closed 1 month ago

orbeckst commented 1 month ago
codecov[bot] commented 1 month ago

Codecov Report

All modified and coverable lines are covered by tests :white_check_mark:

Project coverage is 81.63%. Comparing base (120c5dd) to head (23dfd1d). Report is 1 commits behind head on develop.

Additional details and impacted files ```diff @@ Coverage Diff @@ ## develop #282 +/- ## =========================================== - Coverage 81.68% 81.63% -0.06% =========================================== Files 15 15 Lines 2026 2015 -11 Branches 310 310 =========================================== - Hits 1655 1645 -10 Misses 276 276 + Partials 95 94 -1 ```

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orbeckst commented 1 month ago

What could be fixed, is fixed.