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

Allocate lattice for non-periodic structures #14

Merged
merged 3 commits into from
Apr 21, 2021
Merged

Conversation

awvwgk
Copy link
Member

@awvwgk awvwgk commented Apr 21, 2021

See dftd4/dftd4#91

Needs a release and version bump in dftd4 as well.

@codecov
Copy link

codecov bot commented Apr 21, 2021

Codecov Report

Merging #14 (231be97) into main (2fdeb1f) will decrease coverage by 0.01%.
The diff coverage is 75.00%.

Impacted file tree graph

@@            Coverage Diff             @@
##             main      #14      +/-   ##
==========================================
- Coverage   64.24%   64.22%   -0.02%     
==========================================
  Files          49       49              
  Lines        4094     4095       +1     
  Branches     1332     1333       +1     
==========================================
  Hits         2630     2630              
  Misses        553      553              
- Partials      911      912       +1     
Impacted Files Coverage Δ
src/mctc/io/structure.f90 43.10% <0.00%> (-0.76%) ⬇️
src/mctc/version.f90 0.00% <ø> (ø)
src/mctc/io/write/vasp.f90 80.95% <100.00%> (ø)

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 2fdeb1f...231be97. Read the comment docs.

@awvwgk awvwgk merged commit 5603d58 into grimme-lab:main Apr 21, 2021
@awvwgk awvwgk deleted the lattice branch April 21, 2021 14:38
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

Successfully merging this pull request may close these issues.

1 participant