codecov-io
commented
3 years ago Codecov Report
Merging #27 into development will decrease coverage by
16.73%. The diff coverage is30.76%.
@@ Coverage Diff @@
## development #27 +/- ##
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- Coverage 77.94% 61.20% -16.74%
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Files 13 15 +2
Lines 798 1124 +326
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+ Hits 622 688 +66
- Misses 176 436 +260 | Impacted Files | Coverage Δ | |
|---|---|---|
| src/rhf/energy/EnergyHelpers.jl | 83.73% <ø> (ø) |
|
| src/rhf/gradient/GradHelpers.jl | 0.00% <0.00%> (ø) |
|
| src/rhf/gradient/Gradient.jl | 2.38% <2.38%> (ø) |
|
| src/properties/PropHelpers.jl | 78.94% <78.94%> (ø) |
|
| src/rhf/energy/Energy.jl | 94.11% <94.11%> (ø) |
|
| src/rhf/energy/SCF.jl | 76.69% <94.11%> (ø) |
|
| src/properties/JCProperties.jl | 96.42% <96.42%> (+96.42%) |
:arrow_up: |
| src/basis/BasisHelpers.jl | 100.00% <100.00%> (ø) |
|
| src/basis/JCBasis.jl | 100.00% <100.00%> (ø) |
|
| src/io/JCInput.jl | 100.00% <100.00%> (ø) |
|
| ... and 7 more |
Dipole moments can now be computed for molecules, using information acquired from RHF calculations. Other changes have been made as well: