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MolarVerse / PQ

https://molarverse.github.io/PQ/
GNU General Public License v3.0
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Feature/mace #68

Closed 97gamjak closed 5 months ago

codecov[bot] commented 5 months ago

Codecov Report

Attention: Patch coverage is 70.65338% with 265 lines in your changes missing coverage. Please review.

Project coverage is 73.20%. Comparing base (5574af1) to head (1f51db3).

Files Patch % Lines
src/QM/ase/aseQMRunner.cpp 0.00% 124 Missing :warning:
src/forceField/jCouplingType.cpp 0.00% 28 Missing :warning:
src/settings/qmSettings.cpp 43.75% 27 Missing :warning:
src/forceField/jCouplingForceField.cpp 0.00% 23 Missing :warning:
src/setup/qmSetup.cpp 51.72% 13 Missing and 1 partial :warning:
src/QM/ase/maceRunner.cpp 0.00% 13 Missing :warning:
src/engine/qmmdEngine.cpp 33.33% 12 Missing :warning:
src/forceField/forceFieldClass.cpp 85.24% 9 Missing :warning:
src/input/guffDatReader.cpp 96.91% 0 Missing and 5 partials :warning:
src/input/inputFileParser/generalInputParser.cpp 88.57% 0 Missing and 4 partials :warning:
... and 4 more
Additional details and impacted files ```diff @@ Coverage Diff @@ ## dev #68 +/- ## ========================================== - Coverage 73.69% 73.20% -0.50% ========================================== Files 304 292 -12 Lines 9849 10165 +316 Branches 3696 3821 +125 ========================================== + Hits 7258 7441 +183 - Misses 2562 2695 +133 Partials 29 29 ```

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