johanjoensson / rspt2spectra
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coverage: 79.211% (-0.8%) from 80.034%
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johanjoensson 
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.

8 of 21 new or added lines in 2 files covered. (38.1%)

207 existing lines in 3 files now uncovered.

1928 of 2434 relevant lines covered (79.21%)

3.17 hits per line

Relevant lines Covered
2434 RELEVANT LINES 1928 COVERED LINES
3.17 HITS PER LINE
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Builds Branch Commit Type Ran Committer Via Coverage
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
31096220512 master Declare spin_ordering: down_first as a structural guarantee, not a measurement build_h0 now writes spin_ordering: "down_first" unconditionally, and write_h0_file adds "spin_ordering" to required_features whenever the caller declares it, so an old... push johanjoensson github
80.03
29685580649 master Fix plotting of fitted hyb. push johanjoensson github
79.83
29661290263 master Peeled linked chain geometry and plot peeled linked chains, combine star and linked_chain geometries to let star states deal with individual sharp features, and chains absorb the delocalized background, hopefully allowing better Hilbert space tru... push johanjoensson github
79.31
29573116877 master Lint changes push johanjoensson github
79.82
29571949711 master assemble_h0: return the effective impurity block H_imp Return H[:n_orb, :n_orb] (the DFT block with the fitted constant hybridization offset folded in) as an extra element, so callers can hand the (H_imp, V, H_bath) blocks straight to a solver's ... push johanjoensson github
79.82
29409069703 master Update build_h0 to parse RSPt basis info Also, build_h0 now always returns the Hamiltonian in the spherical harmonic basis. This is the basis impurtyModel.ed.get_spectra expects. push johanjoensson github
79.82
28928084449 master Add the fitted constant hybridization offset to the impurity level The bath fit models Delta_fit(z) = Delta_pole(z) + C, where the discrete poles carry no constant part. Matching RSPt's Weiss field g0^-1 = z - H_imp - Delta(z) with the discretize... push johanjoensson github
85.62
28824659254 master Rebuild Sphinx docs and rewrite README around the build_h0 workflow Replace the 2019 sphinx-quickstart setup (broken under the src layout) with a modern configuration: furo theme, autodoc/autosummary-generated API pages, numpydoc, intersphinx, an... push johanjoensson github
85.62
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