Add symmetry-aware Raman and IR spectroscopy - #36

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feature/symmetry-spectroscopy

Commits on Jul 2, 2026

Fine q-mesh interpolation for the q-space TDSCHA Lanczos (M2+)

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claude
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d29bff1

Commits on Jul 3, 2026

M3+M4: stochastic-centering windows, batched slot kernel; fix Parseval xfail

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claude
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02d171e
Report: math, derivations, benchmarks and d3-bubble validation of the

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claude
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2bc3ea9
Add SpectralFunctions module for q-space interpolation
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93aea62
One-shot ASR window design: centering + ASR + symmetrization in a single constrained fit

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claude
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3f7f77c
Validate fourth-order (D4) interpolation: spectral-function benchmark + tests

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claude
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f291335

Commits on Jul 4, 2026

Add atomic D3 interpolation centering
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a6abf0f
Make atomic D3 centering permutation-aware
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cde338e
feat: production validation of atomic_delta on SnTe + report update
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9c2a3d6

Commits on Jul 6, 2026

It is not good,
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2bf421e

Commits on Jul 13, 2026

Implement symmetric-power factor centering (QSpaceFactorKernel) with constrained geometry fit
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b1510ff

Commits on Jul 22, 2026

A lot of things, but still not working.
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e80bcdb

Commits on Jul 28, 2026

Commits on Jul 30, 2026

Commits on Aug 2, 2026

Commits on Aug 5, 2026

Add symmetry-aware Raman and IR spectroscopy
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67caa8e

Commits on Aug 6, 2026