johanjoensson / impurityModel / 43226228527

95%

Build Type

push

github

Committed by johanjoensson

Commit Message

Solver works in the basis it is given: remove the adaptive rotation

prepare_solver_basis, calc_selfenergy and the spectra driver no longer
rotate the impurity into a symmetry-adapted basis and back. Choosing the
basis is the caller's job (rspt2spectra / the interface). Removes the
rotation constants, SolverBasis.rotation_full/u_imp and the rotation
argument of simulate_spectra; PES/IPS dedup now uses the block structure
of the supplied basis. Adds a regression test that the solver keeps the
supplied operator, and updates docs and stale docstrings.

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

Coverage Stats

21 of 21 new or added lines in 4 files covered. (100.0%)

3 existing lines in 2 files now uncovered.

21499 of 22555 relevant lines covered (95.32%)

0.95 hits per line