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Minor: updated parts of the commented input.py file #1806

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merged 1 commit into from
Nov 19, 2019

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kspieks
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@kspieks kspieks commented Nov 4, 2019

Motivation or Problem

Resolves the very minor issue in #1801 in which the commented input.py file was missing some descriptions.

Description of Changes

I added some of these descriptions to the commented input.py file. I now realize that looking at RMG-Py/rmgpy/rmg/input.py is probably the best template for generating a new input file.

Testing

No testing was performed since the commented input file is never run

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None

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@amarkpayne amarkpayne left a comment

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This all looks fine to me. Rebase to update this branch and I'll merge this in

@kspieks kspieks force-pushed the update_commented_input_file branch from aa68f7e to 2fce686 Compare November 18, 2019 21:13
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codecov bot commented Nov 18, 2019

Codecov Report

Merging #1806 into master will not change coverage.
The diff coverage is n/a.

Impacted file tree graph

@@           Coverage Diff           @@
##           master    #1806   +/-   ##
=======================================
  Coverage   43.02%   43.02%           
=======================================
  Files          80       80           
  Lines       21099    21099           
  Branches     5516     5516           
=======================================
  Hits         9077     9077           
+ Misses      11004    10990   -14     
- Partials     1018     1032   +14
Impacted Files Coverage Δ
arkane/kinetics.py 12.14% <0%> (ø) ⬆️
rmgpy/data/statmech.py 42.2% <0%> (ø) ⬆️
rmgpy/rmg/pdep.py 12.21% <0%> (ø) ⬆️
rmgpy/data/kinetics/database.py 50.61% <0%> (ø) ⬆️
rmgpy/data/kinetics/family.py 48.35% <0%> (ø) ⬆️
rmgpy/statmech/ndTorsions.py 59.78% <0%> (ø) ⬆️
rmgpy/yml.py 15.71% <0%> (ø) ⬆️
arkane/sensitivity.py 10% <0%> (ø) ⬆️

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@amarkpayne
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@mliu49 I was about to merge these changes, but I just saw your "for next release tag". How should I proceed?

@amarkpayne
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Ah, unless this is for stuff that is meant for the 3.0 release as opposed to the 3.1 release.

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mliu49 commented Nov 19, 2019

Yeah, the tag refers to the 3.0 release. Suggestions for better label names are welcome.

@amarkpayne amarkpayne merged commit 3116f08 into master Nov 19, 2019
@amarkpayne amarkpayne deleted the update_commented_input_file branch November 19, 2019 18:32
@mliu49 mliu49 mentioned this pull request Dec 16, 2019
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3 participants