dftlibs / xcfun

XCFun: A library of exchange-correlation functionals with arbitrary-order derivatives
https://dftlibs.org/xcfun/
Mozilla Public License 2.0
57 stars 32 forks source link

Final cleanup for v2.0.0 #126

Closed robertodr closed 4 years ago

robertodr commented 4 years ago

Todos

Status

bast commented 4 years ago

Thanks for all this work!

robertodr commented 4 years ago

I have removed the windows builds, as I cannot make the Python module work there... When this is merged and v2.0.0 is out, I'll open a draft PR with the windows stuff, if anyone wants to have a look at a later time.

codecov-io commented 4 years ago

Codecov Report

Merging #126 into master will decrease coverage by 8.72%. The diff coverage is 75.00%.

Impacted file tree graph

@@            Coverage Diff             @@
##           master     #126      +/-   ##
==========================================
- Coverage   56.51%   47.79%   -8.73%     
==========================================
  Files          80       80              
  Lines        2109     2111       +2     
==========================================
- Hits         1192     1009     -183     
- Misses        917     1102     +185     
Impacted Files Coverage Δ
src/xcint.cpp 90.47% <ø> (ø)
src/XCFunctional.cpp 41.02% <75.00%> (-26.54%) :arrow_down:
src/densvars.hpp 24.44% <0.00%> (-24.45%) :arrow_down:

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