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Benchmarks
SCF Convergence on MD17 Ethanol
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68.6
Avg Iteration Reduction
PhiSNet
43.64
50.12
56.6
63.08
Jun 4, 2021
Avg Iteration Reduction
Avg Time Reduction
Updated 1mo ago
Evaluation Results
Method
Method
Links
Avg Iteration Reduction
Avg Time Reduction
PhiSNet
SCF algorithm=NRSCF
2021.06
68.6
36.5
PhiSNet
SCF algorithm=DIIS
2021.06
47.1
31.5
PhiSNet
SCF algorithm=SOSCF
2021.06
44.6
30.4
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