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MolarVerse / PQ

https://molarverse.github.io/PQ/
GNU General Public License v3.0
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v.0.4.1 #73

Closed 97gamjak closed 2 days ago

97gamjak commented 3 days ago

Merge Dev into Main

codecov[bot] commented 3 days ago

Codecov Report

Attention: Patch coverage is 69.61039% with 234 lines in your changes missing coverage. Please review.

Project coverage is 72.44%. Comparing base (33f8bef) to head (10ca7ce). Report is 1 commits behind head on main.

Files Patch % Lines
src/setup/thermostatSetup.cpp 39.44% 65 Missing and 1 partial :warning:
src/setup/manostatSetup.cpp 51.81% 52 Missing and 1 partial :warning:
src/setup/optimizerSetup.cpp 0.00% 34 Missing :warning:
src/setup/qmmmSetup.cpp 0.00% 31 Missing :warning:
src/setup/ringPolymerSetup.cpp 9.09% 20 Missing :warning:
src/constraints/mShake.cpp 0.00% 7 Missing :warning:
src/settings/potentialSettings.cpp 76.47% 4 Missing :warning:
src/setup/constraintsSetup.cpp 95.74% 2 Missing and 2 partials :warning:
src/setup/resetKineticsSetup.cpp 88.88% 4 Missing :warning:
src/settings/optimizerSettings.cpp 50.00% 3 Missing :warning:
... and 5 more
Additional details and impacted files ```diff @@ Coverage Diff @@ ## main #73 +/- ## ========================================== - Coverage 72.61% 72.44% -0.18% ========================================== Files 292 281 -11 Lines 10251 10521 +270 Branches 3895 4069 +174 ========================================== + Hits 7444 7622 +178 - Misses 2778 2867 +89 - Partials 29 32 +3 ```

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