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MolarVerse / PQ

https://molarverse.github.io/PQ/
GNU General Public License v3.0
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Feature/mace #65

Closed 97gamjak closed 3 months ago

codecov[bot] commented 3 months ago

Codecov Report

Attention: Patch coverage is 53.75427% with 271 lines in your changes missing coverage. Please review.

Project coverage is 74.23%. Comparing base (4eef704) to head (fa7fac5).

Files Patch % Lines
src/QM/maceRunner.cpp 0.00% 75 Missing :warning:
src/QM/externalQMRunner.cpp 0.00% 29 Missing :warning:
src/settings/qmSettings.cpp 33.33% 23 Missing and 3 partials :warning:
src/settings/qmmmSettings.cpp 0.00% 21 Missing :warning:
src/settings/settings.cpp 43.33% 13 Missing and 4 partials :warning:
src/settings/convergenceSettings.cpp 6.25% 15 Missing :warning:
...rc/simulationBox/simulationBox_standardMethods.cpp 0.00% 15 Missing :warning:
src/settings/manostatSettings.cpp 72.54% 14 Missing :warning:
src/QM/pyscfRunner.cpp 0.00% 11 Missing :warning:
src/QM/internalQMRunner.cpp 0.00% 6 Missing :warning:
... and 15 more
Additional details and impacted files ```diff @@ Coverage Diff @@ ## dev #65 +/- ## ========================================== - Coverage 75.15% 74.23% -0.93% ========================================== Files 302 303 +1 Lines 9584 9749 +165 Branches 3526 3644 +118 ========================================== + Hits 7203 7237 +34 - Misses 2356 2483 +127 - Partials 25 29 +4 ```

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