ReactionMechanismGenerator / ARC

ARC - Automatic Rate Calculator
https://reactionmechanismgenerator.github.io/ARC/index.html
MIT License
42 stars 21 forks source link

Load running jobs' xyz as dict from restart #678

Closed alongd closed 1 year ago

alongd commented 1 year ago

Otherwise, ARC fails when it tries to compute dihedral angles after a restarted scan job has finished

codecov[bot] commented 1 year ago

Codecov Report

Merging #678 (26b13b1) into main (e7630b5) will increase coverage by 0.00%. The diff coverage is 0.00%.

@@           Coverage Diff           @@
##             main     #678   +/-   ##
=======================================
  Coverage   73.47%   73.47%           
=======================================
  Files          99       99           
  Lines       26477    26477           
  Branches     5540     5540           
=======================================
+ Hits        19453    19455    +2     
+ Misses       5660     5659    -1     
+ Partials     1364     1363    -1     
Flag Coverage Δ
unittests 73.47% <0.00%> (+<0.01%) :arrow_up:

Flags with carried forward coverage won't be shown. Click here to find out more.

Impacted Files Coverage Δ
arc/job/adapter.py 40.50% <0.00%> (ø)

... and 1 file with indirect coverage changes

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