Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Correctly update chain number when changing to another chain #33

Merged
merged 1 commit into from
Feb 8, 2022

Conversation

awvwgk
Copy link
Member

@awvwgk awvwgk commented Feb 8, 2022

Stale chain identifier would lead to repeated writing of TER after a chain changed.

@awvwgk awvwgk added the bug Something isn't working label Feb 8, 2022
@codecov
Copy link

codecov bot commented Feb 8, 2022

Codecov Report

Merging #33 (a0029c0) into main (5db20f9) will decrease coverage by 0.01%.
The diff coverage is 0.00%.

Impacted file tree graph

@@            Coverage Diff             @@
##             main      #33      +/-   ##
==========================================
- Coverage   68.18%   68.17%   -0.02%     
==========================================
  Files          56       56              
  Lines        6405     6406       +1     
  Branches     1961     1961              
==========================================
  Hits         4367     4367              
- Misses        671      672       +1     
  Partials     1367     1367              
Impacted Files Coverage Δ
src/mctc/io/write/pdb.f90 25.00% <0.00%> (-0.59%) ⬇️

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 5db20f9...a0029c0. Read the comment docs.

@awvwgk awvwgk merged commit d961b6e into grimme-lab:main Feb 8, 2022
@awvwgk awvwgk deleted the pdb-ter branch February 8, 2022 11:46
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
bug Something isn't working
Projects
None yet
Development

Successfully merging this pull request may close these issues.

1 participant