cmelab / planckton

Reproducible exploration of organic photovoltaic morphology self-assembly using molecular dynamics.

GNU General Public License v3.0

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use ele for mass instead of to_parmed #31

Closed jennyfothergill closed 3 years ago

jennyfothergill commented 3 years ago

fixes #6

codecov[bot] commented 3 years ago

Codecov Report

Merging #31 (6225ea9) into master (aef41d6) will increase coverage by 0.06%. The diff coverage is 100.00%.

@@            Coverage Diff             @@
##           master      #31      +/-   ##
==========================================
+ Coverage   98.78%   98.84%   +0.06%     
==========================================
  Files           6        6              
  Lines         164      173       +9     
==========================================
+ Hits          162      171       +9     
  Misses          2        2

Impacted Files	Coverage Δ
planckton/init.py	`100.00% <100.00%> (ø)`

chrisjonesBSU commented 3 years ago

lgtm