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cmelab / polybinder

Initialization of thermoplastic polymer systems to simulate thermal welding
GNU General Public License v3.0
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Improve CG system initializaiton #94

Closed chrisjonesBSU closed 2 years ago

chrisjonesBSU commented 2 years ago

This PR cleans up the initialization process for coarse-grained systems

codecov[bot] commented 2 years ago

Codecov Report

Merging #94 (4a2892b) into master (0c78287) will increase coverage by 1.50%. The diff coverage is 84.37%.

Impacted file tree graph

@@            Coverage Diff             @@
##           master      #94      +/-   ##
==========================================
+ Coverage   91.86%   93.36%   +1.50%     
==========================================
  Files           7        7              
  Lines         750      739      -11     
==========================================
+ Hits          689      690       +1     
+ Misses         61       49      -12
Impacted Files Coverage Δ
polybinder/simulate.py 89.45% <60.00%> (+0.64%) :arrow_up:
polybinder/system.py 95.51% <88.88%> (+2.32%) :arrow_up: