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feat(librpa): add reader-v1 producer exports - #8053

Merged

mohanchen merged 55 commits into

deepmodeling:developfrom

AroundPeking:pr-rpa-reader-v1

Oct 13, 2026

Merged

feat(librpa): add reader-v1 producer exports#8053
mohanchen merged 55 commits into
deepmodeling:developfrom
AroundPeking:pr-rpa-reader-v1

Commits on Sep 30, 2026
- test(rpa): add LibRPA reader-v1 producer regression
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  095bae5
- feat(librpa): add reader-v1 producer output
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  2949be1
- feat(librpa): export reader-v1 shrink data
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  c8bfb47
- feat(librpa): export split reader-v1 basis files
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  8138327
- feat(librpa): export reader-v1 producer artifacts
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  e7ba219
- feat(librpa): write reader-v1 KS eigenvectors with MPI-IO
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  7a3c45d
- test(librpa): tighten reader-v1 producer contract
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  14d10bb
- fix(librpa): retain RPA output runtime state
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  b5ab835
- fix(librpa): restore velocity producer output
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  df54add
- fix(librpa): register reader-v1 output protocol
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  71db95a
- refactor(rpa): pass producer runtime state explicitly
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  3a6effd
- fix(librpa): restore legacy MPI writer and upstream timer API
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  f68794b
- docs: sync generated input parameter index
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  c7365b3
- test(librpa): align reader-v1 producer contract
  
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Commits on Oct 3, 2026
- feat(rpa): compact reader-v1 producer outputs
  
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  0958896
- fix(rpa): make split producer translation unit self-contained
  
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  0534888
- fix(rpa): balance split implementation guards
  
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  2dcbfa5
- Merge upstream develop into reader-v1
  
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  28a15d8
- fix: use test helper for reader version checks
  
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  4df5d3c
- fix(docs): use Sphinx latexpdf make mode
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  b7e0098
- fix(docs): use standard bra-ket LaTeX
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  a5c49c4
- fix(docs): define LaTeX math aliases
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  15b7123
- Merge remote-tracking branch 'upstream/develop' into codex/pr-rpa-reader-v1-remote-update
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  cef3eee
Commits on Oct 4, 2026
- refactor(rpa): name implementation fragments by purpose
  
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  1a30411
- fix(input): shorten LibRPA reader parameter
  
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  8ea2669
Commits on Oct 6, 2026
- fix(rpa): address producer review with compiled sources and MPI regression
  
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  6aa9e7d
- fix(ri): define destructor body for GCC instantiation
  
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  566684d
- test(io): align MPI fixture with reader-v1 symmetry guard
  
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  e30c4fd
- feat: preserve symmetry in reader-v1 handoff
  
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  91152cf
- fix: bound full k-point MPI packing
  
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  a555db9
Commits on Oct 8, 2026
- Merge branch 'develop' into pr-rpa-reader-v1
  mohanchen
  authored
  871b860
- fix(rpa): address follow-up reader-v1 review
  
  codex
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  0bba279
- fix(test): pass MPI flag safely to reader-v1 runners
  
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  661ff00
- fix(test): select a usable MPI launcher
  
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  49d53a2
- fix(test): use CMake MPI launcher for reader-v1 checks
  
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  d42b75c
- fix(test): propagate CMake MPI launcher flags
  
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  2cc917e
Commits on Oct 9, 2026
- fix(test): use distributed solver for MPI reader checks
  
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  da7d653
- fix(kpoints): broadcast Monkhorst-Pack state to MPI ranks
  
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  bf82e4e
- Merge upstream/develop into pr-rpa-reader-v1
  
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  16c78d3
Commits on Oct 10, 2026
- Merge upstream/develop into pr-rpa-reader-v1
  
  codex
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  4e938b1
Commits on Oct 11, 2026
- Merge upstream/develop into pr-rpa-reader-v1
  
  codex
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  committed
  3cbc208
- fix: address reader-v1 review comments
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  a315e45
- docs: clarify reader-v1 formulas
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  29019df
- test(ri): add reader-v1 helper coverage
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  72ddb32
Commits on Oct 12, 2026
- refactor(rpa): validate reader k-points in KS-LCAO
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  8f430d6
- Merge upstream/develop into pr-rpa-reader-v1
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  34ef957
- test(rpa): refresh reader-v1 references for develop
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  2392004
- test(rpa): cover reader-v1 coefficient serialization
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  7f60f6b
- test(rpa): cover BZ sampling writer
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  a5bfdeb
- test(rpa): cover BZ writer error path
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  ab89d8c
- test(rpa): cover band and velocity output writers
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  924e663
Commits on Oct 13, 2026
- Merge branch 'develop' into pr-rpa-reader-v1
  mohanchen
  authored
  d8fb5a7
- test(lcao): align unit test naming and fixtures
  AroundPeking
  committed
  d36900f
- Merge branch 'develop' into pr-rpa-reader-v1
  AroundPeking
  authored
  5497129
- Merge branch 'develop' into pr-rpa-reader-v1
  mohanchen
  authored
  7a59bf9

Commits

Commits on Sep 30, 2026

Commits on Oct 3, 2026

Commits on Oct 4, 2026

Commits on Oct 6, 2026

Commits on Oct 8, 2026

Commits on Oct 9, 2026

Commits on Oct 10, 2026

Commits on Oct 11, 2026

Commits on Oct 12, 2026

Commits on Oct 13, 2026