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Unify DFT+U occupation-matrix output across PW and LCAO - #8242

Merged

mohanchen merged 6 commits into

deepmodeling:developfrom

lanshuyue:codex/unify-dftu-ion-step-output

Nov 4, 2026

Merged

Unify DFT+U occupation-matrix output across PW and LCAO#8242
mohanchen merged 6 commits into
deepmodeling:developfrom
lanshuyue:codex/unify-dftu-ion-step-output

Commits on Nov 3, 2026
- Move DFT+U ion-step output initialization to KS solver
  lanshuyue
  committed
  521f03e
- Rename DFT+U occupation matrix reader and writer sources
  lanshuyue
  committed
  45217dc
- Test first-step PW DFT+U occupation output from file
  lanshuyue
  committed
  21fbc61
- Keep PW restart regression in validation tools and require MPI
  lanshuyue
  committed
  2bfbea9
- Limit PW DFT+U regression to changed first-step cases
  lanshuyue
  committed
  6b137de
- Remove standalone PW DFT+U regression test
  lanshuyue
  committed
  17071f7