Propagate Raman invariant fix to atom-Fourier interpolation - #34
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mesonepigreco merged 1 commit intoJul 30, 2026
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(cherry picked from commit 620c527)
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July 30, 2026 11:38
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Summary
Propagate the Raman invariant hotfix from #33 to
atom-fourier-interpolation.This branch contains the exact hotfix commit with recorded provenance:
620c527c3cf9c71df9c964014c74d03656885ef7QSpaceAtomFourierLanczosinherits the corrected Q-space Raman preparation and accumulated-modulus behavior fromQSpaceLanczos; no interpolation-specific implementation is added.Root cause and impact
The prior real-space Raman implementation overwrote accumulated diagonal combinations for unpolarized channels 0–3, and both backend
add=Truepaths measured only the latest projected component. The shared builder now constructs each invariant once and preserves consistentxy,xz,yzordering.Previously saved channels 0–3 must be recomputed. Channels 4–6 remain reusable. IR formulas and scaling are unchanged.
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