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davpoolechem / JuliaChem.jl

A research-grade quantum chemistry program written in Julia
MIT License
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Schwarz Screening #10

Closed davpoolechem closed 4 years ago

davpoolechem commented 4 years ago

Add Cauchy-Schwarz screening

codecov-io commented 4 years ago

Codecov Report

Merging #10 into development will increase coverage by 56.66%. The diff coverage is 97.14%.

Impacted file tree graph

@@               Coverage Diff                @@
##           development      #10       +/-   ##
================================================
+ Coverage         9.17%   65.84%   +56.66%     
================================================
  Files               11       11               
  Lines              719      726        +7     
================================================
+ Hits                66      478      +412     
+ Misses             653      248      -405
Impacted Files Coverage Δ
src/rhf/JCRHF.jl 90.47% <ø> (+90.47%) :arrow_up:
src/runtime/JCRuntime.jl 77.77% <ø> (+11.11%) :arrow_up:
src/rhf/RHFSCF.jl 78.05% <96.29%> (+78.05%) :arrow_up:
src/rhf/RHFHelpers.jl 90.51% <100.00%> (+90.51%) :arrow_up:
src/basis/JCBasis.jl 69.62% <0.00%> (+24.05%) :arrow_up: