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FermiQC / Molecules.jl

Library that handles atom structures as XYZ files and properties derived from it.
MIT License
13 stars 10 forks source link

More tests #13

Closed sgoodlett closed 2 years ago

sgoodlett commented 2 years ago

Added a bunch of tests for cubic point groups, hopefully bringing up the CodeCov and making Gustavo feel better.

codecov[bot] commented 2 years ago

Codecov Report

Merging #13 (e0b9311) into main (8976b12) will increase coverage by 2.16%. The diff coverage is 90.42%.

@@            Coverage Diff             @@
##             main      #13      +/-   ##
==========================================
+ Coverage   86.18%   88.35%   +2.16%     
==========================================
  Files          10       16       +6     
  Lines         637     1322     +685     
==========================================
+ Hits          549     1168     +619     
- Misses         88      154      +66
Impacted Files Coverage Δ
src/Molecules.jl 100.00% <ø> (ø)
...rc/Symmetry/CharacterTables/MultiplicationTable.jl 0.00% <0.00%> (ø)
src/Symmetry/flowchart.jl 86.07% <ø> (ø)
src/Symmetry/moit.jl 100.00% <ø> (ø)
src/Symmetry/sea.jl 98.00% <ø> (ø)
src/Symmetry/CharacterTables/Basics.jl 83.33% <83.33%> (ø)
...mmetry/CharacterTables/CharacterTableGenerators.jl 88.23% <88.23%> (ø)
src/Symmetry/CharacterTables/Main.jl 97.01% <97.01%> (ø)
...c/Symmetry/CharacterTables/PointGroupGenerators.jl 99.66% <99.66%> (ø)
src/Symmetry/CharacterTables/CharacterTables.jl 100.00% <100.00%> (ø)
... and 4 more

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