johanjoensson / rspt2spectra / 42538840685

92%

Build Type

push

github

Committed by johanjoensson

Commit Message

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 tolerance, project_to_blocks, a coverage floor of one pole
level, BLOCKING_VERSION, a neglected-coupling report and build_h0 --symm-prec.

Also: build_h0 reads the basis index of every shell and RSPt Irr projector
files (rspt_basis, readfile), with the docs updated.

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

Coverage Stats

368 of 407 new or added lines in 7 files covered. (90.42%)

2 existing lines in 1 file now uncovered.

2745 of 3219 relevant lines covered (85.27%)

3.41 hits per line