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FermiQC / Fermi.jl

Fermi quantum chemistry program
MIT License
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DF and SparseERI for UHF #98

Closed sgoodlett closed 3 years ago

sgoodlett commented 3 years ago

Added functions for handling DF and Sparse ERI's. Added tests for both.

codecov-commenter commented 3 years ago

Codecov Report

Merging #98 (a64f757) into master (7734183) will increase coverage by 0.86%. The diff coverage is 99.03%.

Impacted file tree graph

@@            Coverage Diff             @@
##           master      #98      +/-   ##
==========================================
+ Coverage   71.57%   72.44%   +0.86%     
==========================================
  Files          36       36              
  Lines        2850     2943      +93     
==========================================
+ Hits         2040     2132      +92     
- Misses        810      811       +1
Impacted Files Coverage Δ
src/Methods/HartreeFock/HartreeFock.jl 91.66% <ø> (ø)
src/Methods/HartreeFock/UHF/UHFHelper.jl 98.40% <99.00%> (+1.52%) :arrow_up:
src/Methods/HartreeFock/UHF/UHFa.jl 97.72% <100.00%> (ø)

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gustavojra commented 3 years ago

I just saw this. I will go through it carefully, but it is looking good!