Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run foss_cmake: [foss2022a-mpi, foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128280e+02 | -3.184216450128310e+02 | 8.130000000000000e-12 | 2.955857780762017e-12 | PASS |
| Energy [step 20] | -3.184094654954761e+02 | -3.184094654954693e+02 | 3.380000000000000e-11 | -6.821210263296962e-12 | PASS |
| Multipoles [step 0] | -1.206939584011177e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.581044215045066e-06 | PASS |
| Multipoles [step 20] | -2.020306535677626e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 3.851949119670905e-07 | PASS |