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FermiQC / Fermi.jl

Fermi quantum chemistry program
MIT License
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More tests #94

Closed gustavojra closed 3 years ago

gustavojra commented 3 years ago

Small clean ups and more tests

codecov-commenter commented 3 years ago

Codecov Report

Merging #94 (68c4ac7) into master (4d21d1e) will decrease coverage by 7.40%. The diff coverage is 52.60%.

Impacted file tree graph

@@            Coverage Diff             @@
##           master      #94      +/-   ##
==========================================
- Coverage   77.62%   70.21%   -7.41%     
==========================================
  Files          29       33       +4     
  Lines        2051     2649     +598     
==========================================
+ Hits         1592     1860     +268     
- Misses        459      789     +330
Impacted Files Coverage Δ
src/Backend/Contract.jl 93.02% <0.00%> (-6.98%) :arrow_down:
src/Backend/Options.jl 100.00% <ø> (ø)
src/Core/BasisParser.jl 100.00% <ø> (ø)
src/Core/Geometry.jl 96.92% <0.00%> (-3.08%) :arrow_down:
src/Fermi.jl 100.00% <ø> (ø)
...Cluster/PerturbativeTriples/PerturbativeTriples.jl 62.50% <0.00%> (-20.84%) :arrow_down:
src/Methods/HartreeFock/HartreeFock.jl 100.00% <ø> (ø)
src/Methods/HartreeFock/RHF/RHF.jl 34.48% <0.00%> (-5.52%) :arrow_down:
src/Methods/MollerPlesset/RMP2/RMP2.jl 41.66% <0.00%> (-8.34%) :arrow_down:
src/Core/ROIntegrals.jl 28.38% <12.13%> (-36.30%) :arrow_down:
... and 28 more

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