Closed gustavojra closed 2 years ago
Merging #21 (c930a83) into main (1274b54) will increase coverage by
2.33%
. The diff coverage is79.16%
.
@@ Coverage Diff @@
## main #21 +/- ##
==========================================
+ Coverage 88.35% 90.69% +2.33%
==========================================
Files 16 16
Lines 1322 1332 +10
==========================================
+ Hits 1168 1208 +40
+ Misses 154 124 -30
Impacted Files | Coverage Δ | |
---|---|---|
src/Misc.jl | 0.00% <0.00%> (ø) |
|
src/Molecules.jl | 100.00% <100.00%> (ø) |
|
src/Parse.jl | 95.91% <100.00%> (+7.82%) |
:arrow_up: |
src/Properties.jl | 100.00% <100.00%> (+29.62%) |
:arrow_up: |
src/Symmetry/flowchart.jl | 86.07% <100.00%> (ø) |
|
src/Symmetry/sea.jl | 98.00% <100.00%> (ø) |
|
src/Symmetry/symmetry_finding.jl | 90.55% <100.00%> (ø) |
|
src/Transformations.jl | 100.00% <100.00%> (ø) |
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Other than that, everything looks good.
bruh
A
Molecule
object is implemented. It contains basic electronic information: charge and multiplicityThe alias
Molecule = Vector{Atom}
has been removed.