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Becksteinlab / MDPOW

Calculation of water/solvent partition coefficients with Gromacs.
https://mdpow.readthedocs.io
GNU General Public License v3.0
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initial dihedrals #268

Closed cadeduckworth closed 1 month ago

cadeduckworth commented 1 year ago
codecov[bot] commented 1 year ago

Codecov Report

Attention: Patch coverage is 50.00000% with 1 line in your changes missing coverage. Please review.

Project coverage is 81.26%. Comparing base (6449879) to head (7199026). Report is 68 commits behind head on develop.

Files with missing lines Patch % Lines
mdpow/workflows/dihedrals.py 50.00% 1 Missing :warning:
Additional details and impacted files ```diff @@ Coverage Diff @@ ## develop #268 +/- ## =========================================== - Coverage 81.29% 81.26% -0.04% =========================================== Files 15 15 Lines 1978 1980 +2 Branches 297 297 =========================================== + Hits 1608 1609 +1 - Misses 278 279 +1 Partials 92 92 ```

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orbeckst commented 1 month ago

There's no real code in this PR yet so I am going to close.

If you want to take it up again, please feel free to re-open.