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Parse Molpro frequencies #127

Merged
merged 4 commits into from
May 2, 2019
Merged

Parse Molpro frequencies #127

merged 4 commits into from
May 2, 2019

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alongd
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@alongd alongd commented May 2, 2019

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Although it will be overwritten after a freq job, it is used when
processing a OneDMin job
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codecov bot commented May 2, 2019

Codecov Report

Merging #127 into master will increase coverage by 0.1%.
The diff coverage is 64.7%.

Impacted file tree graph

@@            Coverage Diff            @@
##           master     #127     +/-   ##
=========================================
+ Coverage    40.4%   40.51%   +0.1%     
=========================================
  Files          22       22             
  Lines        5761     5776     +15     
  Branches     1535     1542      +7     
=========================================
+ Hits         2328     2340     +12     
- Misses       3053     3054      +1     
- Partials      380      382      +2
Impacted Files Coverage Δ
arc/scheduler.py 20.16% <0%> (-0.06%) ⬇️
arc/parser.py 87.02% <84.61%> (+1.3%) ⬆️
arc/reaction.py 41.69% <0%> (ø) ⬆️

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@alongd alongd merged commit f72a0a8 into master May 2, 2019
@alongd alongd deleted the molpro_freq branch May 2, 2019 13:14
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