Skip to content

v0.2.4 - #82

Merged
pxlxingliang merged 171 commits into
mainfrom
develop
Dec 15, 2025
Merged

v0.2.4#82
pxlxingliang merged 171 commits into
mainfrom
develop

Conversation

@pxlxingliang

Copy link
Copy Markdown
Collaborator

No description provided.

ahxbcn and others added 30 commits September 9, 2025 16:16
…f given structure is not primitive cell in abacus_cal_band
Bug fixes in band, DOS and wrapper function
Update run_abacus_calculation
ahxbcn and others added 29 commits November 20, 2025 13:10
Change definition of DFT+U and initial magnetic moment settings for tool wrapper
Simplify return value of tools in tool wrapper
Remove kpath and qpath for band and phonon spectrum
Add final scf in vacancy formation energy tool
Rotate crystal structure to IEEE standard orientation
@pxlxingliang
pxlxingliang merged commit e735667 into main Dec 15, 2025
2 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.

3 participants