johanjoensson / rspt2spectra
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README output name; edchain test uses a real flattened two-orbital block

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

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Builds Branch Commit Type Ran Committer Via Coverage
43308112723 master README output name; edchain test uses a real flattened two-orbital block Co-Authored-By: Claude Sonnet 5.5 <noreply@anthropic.com> push johanjoensson github
92.26
43226241945 master 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 (b... push johanjoensson github
88.94
42591206298 master h0: print the symm_prec window over which the block partition holds split_margin() brackets the range of symm_prec that leaves the partition unchanged (doubling, then bisection in log space; the partition is monotone in the threshold). prepare_hy... push johanjoensson github
85.23
42538840685 master symm_prec block reduction, per-shell basis rotation and Irr projectors Fit side of symm_prec: joint approximate diagonalisation of Delta(w) and H_dft, relative coupling thresholds (H scaled against the hybridisation width), a separate equivalence... push johanjoensson github
85.27
40185539838 master Add the option to warm start the hybridization fit. Warm starting skips the global search for bath energies and only fits the hopping parameters for the input bath energies. Useful for speeding up convergence of selfenergies, since a minute chang... push johanjoensson github
81.97
36997691705 master Lint and update test Now the larger blocks get fewer bath states, and hybridization is more important. push johanjoensson github
81.75
35780929844 master Fix CI lint: pin ruff, ignore PLR0917, restore ruff formatting CI installed an unpinned ruff, and 0.16.8 added PLR0917 (too many positional arguments). Ignore it alongside PLR0913 and pin ruff in CI. Fix the remaining SIM103, D205 and SIM117 find... push johanjoensson github
81.75
35778731128 master black formatting push johanjoensson github
81.73
35778083680 master Constrain hybridization fits to the symmetries of the data The star-bath fit is stochastic, so any symmetry Delta(w) happens to have was only reproduced to within the fit residual. Detect them per block and impose them exactly. Three families, a... push johanjoensson github
81.73
33256169623 master Make fitting deterministic. Allow frozen bath. Deterministic fitting is relevant for stability and reproducibility of fits. Freezing the bath is useful for helping convergence, when the hybridization function no longer moves around. push johanjoensson github
79.21
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