xnn.common.models.dispersion_fast.eeq.CG_TOL_FLOAT32

xnn.common.models.dispersion_fast.eeq.CG_TOL_FLOAT32 = 1e-06

the reference’s 100 machine epsilons (1.2e-5) leave about 3e-5 e in the charges of a 5k-atom box, where its refined LU solve reaches 2e-6 e; 1e-6 matches that at a few more iterations (EEQReuse uses the same value)

Type:

relative residual of the float32 solves