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alanwilter / acpype

OFFICIAL: AnteChamber PYthon Parser interfacE
https://alanwilter.github.io/acpype/
GNU General Public License v3.0
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More docs and some improvements #72

Closed alanwilter closed 2 years ago

alanwilter commented 2 years ago

Sorted an issue when reading prmtop files.

codecov[bot] commented 2 years ago

Codecov Report

Merging #72 (3938e1a) into master (8f7972c) will increase coverage by 0.03%. The diff coverage is n/a.

Impacted file tree graph

@@            Coverage Diff             @@
##           master      #72      +/-   ##
==========================================
+ Coverage   96.71%   96.75%   +0.03%     
==========================================
  Files          14       14              
  Lines        2740     2742       +2     
==========================================
+ Hits         2650     2653       +3     
+ Misses         90       89       -1
Impacted Files Coverage Δ
acpype/cli.py 90.17% <ø> (ø)
acpype/parser_args.py 100.00% <ø> (ø)
acpype/topol.py 96.22% <ø> (+<0.01%) :arrow_up:
acpype/logger.py 100.00% <0.00%> (+2.00%) :arrow_up:

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