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alanwilter / acpype

OFFICIAL: AnteChamber PYthon Parser interfacE
https://alanwilter.github.io/acpype/
GNU General Public License v3.0
201 stars 46 forks source link

Add documentation #69

Closed alanwilter closed 2 years ago

alanwilter commented 2 years ago

Also add teardown fixture for some pytest

codecov[bot] commented 2 years ago

Codecov Report

Merging #69 (9ffa76f) into master (58aed59) will increase coverage by 0.24%. The diff coverage is 79.88%.

Impacted file tree graph

@@            Coverage Diff             @@
##           master      #69      +/-   ##
==========================================
+ Coverage   93.28%   93.52%   +0.24%     
==========================================
  Files          16       14       -2     
  Lines        2724     2748      +24     
==========================================
+ Hits         2541     2570      +29     
+ Misses        183      178       -5
Impacted Files Coverage Δ
acpype/topol.py 91.89% <47.72%> (+0.41%) :arrow_up:
acpype/cli.py 85.96% <78.43%> (-5.05%) :arrow_down:
acpype/acs_api.py 100.00% <100.00%> (ø)
acpype/logger.py 98.00% <100.00%> (+0.08%) :arrow_up:
acpype/mol.py 100.00% <100.00%> (ø)
tests/conftest.py 100.00% <100.00%> (ø)
tests/test_acpype.py 100.00% <100.00%> (ø)
tests/test_acs_api.py 100.00% <100.00%> (ø)
tests/test_amb2gmx.py 100.00% <100.00%> (ø)
tests/test_scenarios.py 100.00% <100.00%> (ø)
... and 3 more

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