MRChemSoft / mrchem

MultiResolution Chemistry
GNU Lesser General Public License v3.0
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Cherry-picks from master #298

Closed stigrj closed 4 years ago

stigrj commented 4 years ago

Collecting cherry-picks for v1.0.0-alpha2

codecov[bot] commented 4 years ago

Codecov Report

Merging #298 into release/1.0 will decrease coverage by 15.32%. The diff coverage is 0.36%.

Impacted file tree graph

@@               Coverage Diff                @@
##           release/1.0     #298       +/-   ##
================================================
- Coverage        53.92%   38.60%   -15.33%     
================================================
  Files              105      168       +63     
  Lines             8391    11747     +3356     
================================================
+ Hits              4525     4535       +10     
- Misses            3866     7212     +3346     
Impacted Files Coverage Δ
src/chemistry/Molecule.cpp 0.00% <0.00%> (ø)
src/chemistry/Molecule.h 0.00% <0.00%> (ø)
src/driver.cpp 0.00% <0.00%> (ø)
src/mrenv.cpp 0.00% <0.00%> (ø)
src/parallel.cpp 53.33% <ø> (ø)
src/parallel.h 50.00% <ø> (ø)
src/properties/DipoleMoment.h 0.00% <0.00%> (ø)
src/properties/Magnetizability.h 0.00% <0.00%> (ø)
src/properties/NMRShielding.h 0.00% <0.00%> (ø)
src/properties/OrbitalEnergies.h 0.00% <0.00%> (ø)
... and 88 more

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