psi-rking / optking

optking: A molecular geometry optimization program
BSD 3-Clause "New" or "Revised" License
20 stars 14 forks source link

Travis CI fix #41

Closed AlexHeide closed 4 years ago

AlexHeide commented 4 years ago

Make Continuous Integration tests able to pass.

codecov[bot] commented 4 years ago

Codecov Report

Merging #41 into master will decrease coverage by 10.92%. The diff coverage is 49.26%.

Impacted file tree graph

@@             Coverage Diff             @@
##           master      #41       +/-   ##
===========================================
- Coverage   80.31%   69.38%   -10.93%     
===========================================
  Files          32       34        +2     
  Lines        4471     5315      +844     
===========================================
+ Hits         3591     3688       +97     
- Misses        880     1627      +747     
Impacted Files Coverage Δ
optking/loggingconfig.py 100.00% <ø> (ø)
optking/stre.py 47.01% <0.00%> (-20.53%) :arrow_down:
optking/v3d.py 63.56% <0.00%> (ø)
optking/orient.py 13.88% <7.14%> (ø)
optking/dimerfrag.py 7.70% <7.70%> (ø)
optking/addIntcos.py 81.04% <61.70%> (-4.96%) :arrow_down:
optking/hessian.py 72.72% <64.70%> (-27.28%) :arrow_down:
optking/linearAlgebra.py 79.26% <66.66%> (ø)
optking/optimize.py 73.00% <66.66%> (-3.28%) :arrow_down:
optking/convCheck.py 91.66% <70.00%> (-5.56%) :arrow_down:
... and 24 more

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psi-rking commented 4 years ago

LGTM Shall I merge it?

AlexHeide commented 4 years ago

Yeah merge it.