Skip to content

Add average iterative diagonalization step output#6795

Merged
mohanchen merged 8 commits intodeepmodeling:developfrom
Cstandardlib:feat/iter-info
Dec 19, 2025
Merged

Add average iterative diagonalization step output#6795
mohanchen merged 8 commits intodeepmodeling:developfrom
Cstandardlib:feat/iter-info

Conversation

@Cstandardlib
Copy link
Collaborator

@Cstandardlib Cstandardlib commented Dec 18, 2025

Linked Issue

Fix #6789

Unit Tests and/or Case Tests for my changes

  • A unit test is added for each new feature or bug fix.

What's changed?

  • Add Average iterative diagonalization steps for k-points output for scf.
  • Add avg_iter count for cg.
  • Output iteration count for each band for cg in DEBUG mode.

@mohanchen mohanchen added the Refactor Refactor ABACUS codes label Dec 19, 2025
@mohanchen mohanchen merged commit 35844eb into deepmodeling:develop Dec 19, 2025
13 checks passed
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Labels

Refactor Refactor ABACUS codes

Projects

None yet

Development

Successfully merging this pull request may close these issues.

Need average iteterative diagonalization count output

2 participants