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

bug fix for linear strain passing in qha #1061

Merged
merged 12 commits into from
Nov 22, 2024
Merged

Conversation

JaGeo
Copy link
Member

@JaGeo JaGeo commented Nov 21, 2024

Summary

Closes #1058

Copy link

codecov bot commented Nov 21, 2024

Codecov Report

Attention: Patch coverage is 83.33333% with 6 lines in your changes missing coverage. Please review.

Project coverage is 67.26%. Comparing base (42bc7b8) to head (a87f0ef).
Report is 18 commits behind head on main.

Files with missing lines Patch % Lines
src/atomate2/common/utils.py 75.00% 4 Missing ⚠️
src/atomate2/common/flows/qha.py 91.66% 0 Missing and 1 partial ⚠️
src/atomate2/common/jobs/qha.py 83.33% 1 Missing ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##            main    #1061       +/-   ##
==========================================
+ Coverage   4.32%   67.26%   +62.93%     
==========================================
  Files        178      187        +9     
  Lines      12911    13629      +718     
  Branches    1278     1369       +91     
==========================================
+ Hits         559     9168     +8609     
+ Misses     12321     3949     -8372     
- Partials      31      512      +481     
Files with missing lines Coverage Δ
src/atomate2/common/flows/phonons.py 75.86% <ø> (+75.86%) ⬆️
src/atomate2/common/jobs/phonons.py 73.07% <100.00%> (+73.07%) ⬆️
src/atomate2/forcefields/flows/qha.py 95.65% <ø> (+95.65%) ⬆️
src/atomate2/vasp/flows/qha.py 96.00% <ø> (+96.00%) ⬆️
src/atomate2/common/flows/qha.py 76.66% <91.66%> (+76.66%) ⬆️
src/atomate2/common/jobs/qha.py 85.18% <83.33%> (+85.18%) ⬆️
src/atomate2/common/utils.py 78.08% <75.00%> (+78.08%) ⬆️

... and 148 files with indirect coverage changes

---- 🚨 Try these New Features:

@JaGeo
Copy link
Member Author

JaGeo commented Nov 22, 2024

@utf Merging this now to get the qha workflow to work without bug.

@JaGeo JaGeo enabled auto-merge (squash) November 22, 2024 04:32
@JaGeo JaGeo merged commit 3d55b2b into materialsproject:main Nov 22, 2024
15 checks passed
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.

BUG: bug in qha workflow
1 participant