codecov[bot]
commented
2 years ago Codecov Report
Merging #107 (3ee4f66) into master (804b405) will decrease coverage by
8.94%. The diff coverage is35.51%.
@@ Coverage Diff @@
## master #107 +/- ##
==========================================
- Coverage 72.44% 63.49% -8.95%
==========================================
Files 36 41 +5
Lines 2943 3301 +358
==========================================
- Hits 2132 2096 -36
- Misses 811 1205 +394 | Impacted Files | Coverage Δ | |
|---|---|---|
| src/Backend/Libcint.jl | 72.72% <0.00%> (-27.28%) |
:arrow_down: |
| src/Backend/Options.jl | 100.00% <ø> (ø) |
|
| src/Core/AtomicIntegrals/OneElectron.jl | 64.04% <0.00%> (ø) |
|
| src/Core/AtomicIntegrals/TwoElectronFourCenter.jl | 99.02% <ø> (ø) |
|
| src/Core/AtomicIntegrals/TwoElectronThreeCenter.jl | 100.00% <ø> (ø) |
|
| src/Core/AtomicIntegrals/TwoElectronTwoCenter.jl | 100.00% <ø> (ø) |
|
| src/Core/ROIntegrals.jl | 24.56% <ø> (-3.82%) |
:arrow_down: |
| src/Core/ROIntegrals/OneElectron.jl | 0.00% <0.00%> (ø) |
|
| src/Methods/CoupledCluster/CoupledCluster.jl | 100.00% <ø> (ø) |
|
| .../Methods/CoupledCluster/PerturbativeTriples/abc.jl | 0.00% <0.00%> (ø) |
|
| ... and 30 more |
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gustavojra
drop_occfor you based on the molecule found in the options)tblisis now default totrueMolecules.jlis now integrated to the code and the corresponding code in Fermi has been removed.benchmarkfolder, zipped away.