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MolarVerse / PQ

https://molarverse.github.io/PQ/
GNU General Public License v3.0
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fix qm_forces and stress_tensor file now deleted after reading them f… #58

Closed 97gamjak closed 3 months ago

97gamjak commented 3 months ago

…or qm md simulations

codecov[bot] commented 3 months ago

Codecov Report

Attention: Patch coverage is 0% with 65 lines in your changes missing coverage. Please review.

Project coverage is 78.57%. Comparing base (967e64d) to head (d106257).

Files Patch % Lines
src/QM/dftbplusRunner.cpp 0.00% 53 Missing :warning:
src/QM/qmRunner.cpp 0.00% 12 Missing :warning:
Additional details and impacted files ```diff @@ Coverage Diff @@ ## main #58 +/- ## ========================================== - Coverage 79.00% 78.57% -0.43% ========================================== Files 249 249 Lines 6239 6273 +34 Branches 2302 2330 +28 ========================================== Hits 4929 4929 - Misses 1290 1324 +34 Partials 20 20 ```

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