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FermiQC / Fermi.jl

Fermi quantum chemistry program
MIT License
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Fermi.Error removed #85

Closed gustavojra closed 3 years ago

gustavojra commented 3 years ago

Now we only have one exception Fermi.Options.FermiException that should be used to give the user feedback on why the program failed to run.

Options.jl should be fully covered by tests now!

codecov-commenter commented 3 years ago

Codecov Report

Merging #85 (06c012f) into master (25f2467) will increase coverage by 0.93%. The diff coverage is 32.55%.

Impacted file tree graph

@@            Coverage Diff             @@
##           master      #85      +/-   ##
==========================================
+ Coverage   73.98%   74.92%   +0.93%     
==========================================
  Files          30       29       -1     
  Lines        2053     2050       -3     
==========================================
+ Hits         1519     1536      +17     
+ Misses        534      514      -20
Impacted Files Coverage Δ
src/Core/AtomicIntegrals.jl 71.09% <0.00%> (ø)
src/Core/BasisSet.jl 100.00% <ø> (ø)
src/Core/DIIS.jl 96.87% <ø> (ø)
src/Core/Geometry.jl 83.33% <0.00%> (ø)
src/Core/IntegralHelper.jl 54.54% <0.00%> (ø)
src/Core/PhysicalConstants.jl 33.33% <0.00%> (ø)
src/Core/ROIntegrals.jl 64.67% <0.00%> (ø)
src/Fermi.jl 100.00% <ø> (ø)
src/Methods/CoupledCluster/CoupledCluster.jl 100.00% <ø> (ø)
...Cluster/PerturbativeTriples/PerturbativeTriples.jl 83.33% <0.00%> (ø)
... and 13 more

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