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cdsgroup / resp

A. Alenaizan's restricted electrostatic potential (RESP) plugin to Psi4
BSD 3-Clause "New" or "Revised" License
27 stars 8 forks source link

some clean up #1

Closed alenaizan closed 6 years ago

alenaizan commented 6 years ago

Clean up for dict keys and a other things.

codecov-io commented 6 years ago

Codecov Report

Merging #1 into master will decrease coverage by 3.81%. The diff coverage is 96.15%.

Impacted file tree graph

@@            Coverage Diff            @@
##           master      #1      +/-   ##
=========================================
- Coverage   89.92%   86.1%   -3.82%     
=========================================
  Files           8       6       -2     
  Lines         645     619      -26     
=========================================
- Hits          580     533      -47     
- Misses         65      86      +21
Impacted Files Coverage Δ
resp/vdw_surface_helper.py 83.33% <ø> (-11.12%) :arrow_down:
resp/espfit.py 84.23% <0%> (-4.9%) :arrow_down:
resp/stage2_helper.py 81.66% <100%> (-10%) :arrow_down:
resp/driver.py 82.71% <100%> (-5.67%) :arrow_down:
resp/extras.py
resp/__init__.py

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loriab commented 6 years ago

looks good! merge when you're ready, @alenaizan. If you don't have a big green "Merge pull request" button, let me know.