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Add average iterative diagonalization step output #6795

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Merged
mohanchen merged 8 commits into from
Dec 19, 2025
Merged

Add average iterative diagonalization step output #6795

mohanchen merged 8 commits into from
Dec 19, 2025
+66 −40

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@Cstandardlib Cstandardlib commented Dec 18, 2025 •
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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
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Need average iteterative diagonalization count output

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@Cstandardlib @mohanchen