search

ReactionMechanismGenerator / AutoTST

AutoTST: A framework to perform automated transition state theory calculations
Other
32 stars 16 forks source link

Created a formal LICENSE.txt file #58

Closed nateharms closed 4 years ago

nateharms commented 4 years ago

We've been lacking this, but we should have this in the code base.

We still need to update the year in all of the files.

codecov[bot] commented 4 years ago

Codecov Report

Merging #58 into master will not change coverage. The diff coverage is n/a.

Impacted file tree graph

@@           Coverage Diff           @@
##           master      #58   +/-   ##
=======================================
  Coverage   62.73%   62.73%           
=======================================
  Files          27       27           
  Lines        4564     4564           
=======================================
  Hits         2863     2863           
  Misses       1701     1701
Impacted Files Coverage Δ
autotst/calculator/gaussian.py 63.22% <ø> (ø) :arrow_up:
autotst/reaction.py 79.87% <ø> (ø) :arrow_up:
autotst/geometry_test.py 98.59% <ø> (ø) :arrow_up:
autotst/reaction_test.py 99.49% <ø> (ø) :arrow_up:
autotst/calculator/vibrational_analysis.py 86.3% <ø> (ø) :arrow_up:
autotst/data/base_test.py 99.01% <ø> (ø) :arrow_up:
autotst/data/base.py 38.4% <ø> (ø) :arrow_up:
autotst/job/job_test.py 98.46% <ø> (ø) :arrow_up:
autotst/conformer/utilities_test.py 95% <ø> (ø) :arrow_up:
autotst/conformer/systematic.py 63.13% <ø> (ø) :arrow_up:
... and 16 more

Continue to review full report at Codecov.

Legend - Click here to learn more Δ = absolute <relative> (impact), ø = not affected, ? = missing data Powered by Codecov. Last update dcebf50...eed6078. Read the comment docs.

nateharms commented 4 years ago

After talking with @rwest, we came up with a proper copyright and this PR reflects that.