Improve NTTDA projection and add explicit TDA matrices - #14
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Project out the redundant spin-lowering direction during NTTDA Davidson iterations, replacing the extra-root calculation and energy-based filtering. Improve sanity checks and logging.
Add an independent, formula-based
get_abfor all three spin sectors, including CPU density fitting, with a standalone test file and example.Validation: H2O2/6-31G tests compare 10 random vectors against
vindfor conventional and DF calculations; the example agrees with Davidson energies. Ruff passes.