Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit b21946569e0fd76bd0c736308c1aade8f51fa7e4 >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128309e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 5.684341886080801e-14 | PASS |
| Energy [step 20] | -3.184094654954755e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -6.195932655828074e-12 | PASS |
| Multipoles [step 0] | -1.206960935054860e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.559693171362006e-06 | PASS |
| Multipoles [step 20] | -2.020306544912947e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 3.759595905705737e-07 | PASS |