johanjoensson / rspt2spectra / 43226241945

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Fit basis: Coulomb-aware symmetry shapes chosen by block partition

Tier 1 searches input orbitals, complex/real/cubic-f harmonics and j-j
shapes, each in its best SO(3) frame, ranked by the block partition at
symm_prec, then Coulomb term count (budget max_u_densify), then margin.
Free and budgeted Jacobi compete under the same rule. The budgeted
Jacobi moves both spins together in spin-degenerate problems.

relative_couplings is the single coupling measure behind the partition.
Fast O(n^5) U rotation, Pauli-safe invariance probe, exact budget
arithmetic, finite-input checks.

Co-Authored-By: Claude Sonnet 5.5 <noreply@anthropic.com>

386 of 386 new or added lines in 3 files covered. (100.0%)

3330 of 3744 relevant lines covered (88.94%)

3.04 hits per line