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MolarVerse / PQ

https://molarverse.github.io/PQ/
GNU General Public License v3.0
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Feature/hybrid calc #86

Closed 97gamjak closed 4 months ago

codecov[bot] commented 4 months ago

Codecov Report

Attention: Patch coverage is 26.77165% with 93 lines in your changes missing coverage. Please review.

Project coverage is 73.36%. Comparing base (710ed1d) to head (d667643). Report is 45 commits behind head on dev.

Files Patch % Lines
src/engine/ringPolymerEngine.cpp 0.00% 24 Missing :warning:
src/QM/external/dftbplusRunner.cpp 0.00% 19 Missing :warning:
src/engine/ringPolymerqmmdEngine.cpp 0.00% 14 Missing :warning:
src/QM/external/externalQMRunner.cpp 26.66% 11 Missing :warning:
src/QM/external/turbomoleRunner.cpp 0.00% 9 Missing :warning:
src/engine/mdEngine.cpp 82.85% 6 Missing :warning:
src/QM/external/pyscfRunner.cpp 0.00% 4 Missing :warning:
src/QM/ase/aseQMRunner.cpp 0.00% 3 Missing :warning:
src/setup/qmmmSetup.cpp 0.00% 2 Missing :warning:
src/engine/qmmdEngine.cpp 0.00% 1 Missing :warning:
Additional details and impacted files ```diff @@ Coverage Diff @@ ## dev #86 +/- ## ========================================== + Coverage 73.26% 73.36% +0.10% ========================================== Files 251 250 -1 Lines 10752 10737 -15 Branches 4244 4238 -6 ========================================== Hits 7877 7877 + Misses 2839 2825 -14 + Partials 36 35 -1 ```

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