FermiQC / Fermi.jl

Fermi quantum chemistry program
MIT License
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FCI + Fix to DirectRHF #131

Closed gustavojra closed 2 years ago

gustavojra commented 2 years ago
codecov[bot] commented 2 years ago

Codecov Report

Merging #131 (b557df4) into master (ec463ef) will increase coverage by 1.73%. The diff coverage is 93.20%.

@@            Coverage Diff             @@
##           master     #131      +/-   ##
==========================================
+ Coverage   70.68%   72.42%   +1.73%     
==========================================
  Files          41       44       +3     
  Lines        2947     3198     +251     
==========================================
+ Hits         2083     2316     +233     
- Misses        864      882      +18     
Impacted Files Coverage Δ
src/Core/Options.jl 100.00% <ø> (ø)
src/Tools/SinglePointEnergy.jl 89.47% <ø> (ø)
src/Methods/ConfigurationInteraction/FCI/FCI.jl 39.13% <39.13%> (ø)
src/Methods/ConfigurationInteraction/FCI/RFCI.jl 98.19% <98.19%> (ø)
src/Core/Integrals/AtomicIntegrals.jl 100.00% <100.00%> (ø)
...nfigurationInteraction/ConfigurationInteraction.jl 100.00% <100.00%> (ø)
src/Methods/HartreeFock/RHF/DirectHelper.jl 100.00% <100.00%> (ø)

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