Pyscf — optimization runs

3 optimize runs recorded for pyscf.

Runs

Task	Metric	Direction	Baseline	Best	Δ vs baseline
casscf	Weighted median casscf kernel time (s)	lower	102.444	39.7457	+61.20%
davidson	Weighted median td kernel wall time (s)	lower	128.753	30.0181	+76.69%
diis_scf	Weighted median SCF kernel time (s)	lower	1.22637	0.812246	+33.77%