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Allow birad singlet to be defined and run as unrestricted #114

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merged 4 commits into from
Apr 10, 2019

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@alongd alongd commented Apr 10, 2019

Added number_of_radical as an attribute of Species (and Job) so birad singlets can be defined/identified. Changed the condition for determining whether to run a job as restricted or unrestricted accordingly.

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codecov bot commented Apr 10, 2019

Codecov Report

Merging #114 into master will increase coverage by 0.01%.
The diff coverage is 27.27%.

Impacted file tree graph

@@            Coverage Diff             @@
##           master     #114      +/-   ##
==========================================
+ Coverage   40.13%   40.14%   +0.01%     
==========================================
  Files          22       22              
  Lines        5511     5517       +6     
  Branches     1451     1453       +2     
==========================================
+ Hits         2212     2215       +3     
  Misses       2944     2944              
- Partials      355      358       +3
Impacted Files Coverage Δ
arc/scheduler.py 19.57% <ø> (ø) ⬆️
arc/job/job.py 18.4% <14.28%> (+0.09%) ⬆️
arc/species/species.py 58.68% <50%> (-0.04%) ⬇️
arc/reaction.py 41.47% <0%> (ø) ⬆️

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@alongd alongd merged commit f5c4cde into master Apr 10, 2019
@alongd alongd deleted the number_of_rads branch April 10, 2019 18:13
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