codecov-commenter
commented
4 years ago Codecov Report
Merging #17 into development will increase coverage by
14.79%. The diff coverage is92.95%.
@@ Coverage Diff @@
## development #17 +/- ##
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+ Coverage 72.52% 87.32% +14.79%
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Files 11 12 +1
Lines 728 702 -26
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+ Hits 528 613 +85
+ Misses 200 89 -111 | Impacted Files | Coverage Δ | |
|---|---|---|
| src/io/JCInput.jl | 100.00% <ø> (ø) |
|
| src/molecule/JCMolecule.jl | 100.00% <ø> (ø) |
|
| src/molecule/MoleculeAnalysis.jl | 100.00% <ø> (+80.76%) |
:arrow_up: |
| src/properties/JCProperties.jl | 0.00% <ø> (ø) |
|
| src/rhf/JCRHF.jl | 90.47% <ø> (+42.85%) |
:arrow_up: |
| src/runtime/JCRuntime.jl | 77.77% <ø> (ø) |
|
| src/modules/BasisStructs.jl | 90.74% <90.74%> (ø) |
|
| src/basis/JCBasis.jl | 100.00% <100.00%> (+25.00%) |
:arrow_up: |
| src/modules/MolStructs.jl | 100.00% <100.00%> (ø) |
|
| src/rhf/RHFHelpers.jl | 92.43% <100.00%> (-0.13%) |
:arrow_down: |
| ... and 7 more |
Implement and confirm correctness of f shells for Pople basis sets. S22 test molecules are switched to a basis set that uses f shells ( 6-31G(2df,p) ), and test scripts are updated to match.
Merge JCModules with JuliaChem. The code was refactored so that the elements in JCModules could be included in JuliaChem itself. As a result, JuliaChem no longer has a dependency on JCModules.
Fix issues with Travis build.