davpoolechem / JuliaChem.jl

A research-grade quantum chemistry program written in Julia
MIT License
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Usage of libint_jll #30

Closed davpoolechem closed 3 years ago

davpoolechem commented 3 years ago

Replace usage of an external Libint instance with the usage of the libint_jll artifact. The Libint/JuliaChem.jl interface has been updated to reflect this change. With this, JuliaChem.jl should work "out of the box".

codecov-io commented 3 years ago

Codecov Report

Merging #30 (b64efab) into development (66b4352) will increase coverage by 0.03%. The diff coverage is 100.00%.

Impacted file tree graph

@@               Coverage Diff               @@
##           development      #30      +/-   ##
===============================================
+ Coverage        63.47%   63.50%   +0.03%     
===============================================
  Files               15       15              
  Lines             1117     1118       +1     
===============================================
+ Hits               709      710       +1     
  Misses             408      408              
Impacted Files Coverage Δ
src/rhf/energy/SCF.jl 76.21% <100.00%> (+0.06%) :arrow_up: