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Fix charge units when charge is 0 #82

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merged 2 commits into from
Oct 23, 2023

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chrisjonesBSU
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In the _scale_charges method we set the site charge to zero if it's not defined, but we also need to give that 0 units of Coulombs which we weren't doing before.

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@marjanalbooyeh marjanalbooyeh left a comment

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LGTM. Thanks!

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codecov bot commented Oct 23, 2023

Codecov Report

Merging #82 (fb96ced) into main (aeb45d5) will not change coverage.
Report is 88 commits behind head on main.
The diff coverage is 100.00%.

Additional details and impacted files

Impacted file tree graph

@@           Coverage Diff           @@
##             main      #82   +/-   ##
=======================================
  Coverage   93.73%   93.73%           
=======================================
  Files          20       20           
  Lines        1533     1533           
=======================================
  Hits         1437     1437           
  Misses         96       96           
Files Coverage Δ
flowermd/base/system.py 90.61% <100.00%> (ø)

@chrisjonesBSU chrisjonesBSU merged commit f4bf132 into cmelab:main Oct 23, 2023
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@chrisjonesBSU chrisjonesBSU deleted the fix-scale-charge branch October 23, 2023 20:13
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2 participants