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SCF Convergence on MD17 Uracil

67.1Avg Iteration ReductionPhiSNet
39.33246.54153.7560.959Jun 4, 2021

Evaluation results

MethodLinks
PhiSNetSCF algorithm=NRSCF2021.0667.138
PhiSNetSCF algorithm=DIIS2021.0647.338.1
PhiSNetSCF algorithm=SOSCF2021.0640.432.9