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Refactor Fock basis construction - #279

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mpmdean merged 1 commit into
EDRIXS:scipy_edrixsfrom
lajerm:basis_experimental_scipy
Aug 25, 2026
Merged

Refactor Fock basis construction#279
mpmdean merged 1 commit into
EDRIXS:scipy_edrixsfrom
lajerm:basis_experimental_scipy

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@lajerm

@lajerm lajerm commented Aug 24, 2026

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This refactors Fock-basis handling so that model setup returns compact
sector metadata rather than materializing the full basis.

Main changes:

  • move explicit and combinadic basis representations into fock_basis.py
  • defer basis realization to operator construction
  • support explicit/combinadic basis routes
  • support vanilla/Numba operator construction, with Numba opt-in
  • preserve historical EDRIXS basis ordering in the combinadic route
  • separate backend-independent operator kernels from backend-specific
    sparse-matrix assembly
  • retain the existing scipy_edrixs PETSc stub without depending on the
    implemented PETSc backend
  • add numerical consistency tests for SciPy, explicit/combinadic, and
    vanilla/Numba routes

The backend-independent portions correspond to PR #278, adapted minimally
for the scipy_edrixs branch.

Local test result: 383 passed

@mpmdean
mpmdean merged commit 1ebe112 into EDRIXS:scipy_edrixs Aug 25, 2026
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2 participants