Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit 370adda2f0c97e5430265c4ac8d8eb630d5276fb >
Run foss_mpi_debug_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128283e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 2.671640686457977e-12 | PASS |
| Energy [step 20] | -3.184094654954791e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -9.833911462919787e-12 | PASS |
| Multipoles [step 0] | -1.206873259708988e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.647368517234291e-06 | PASS |
| Multipoles [step 20] | -2.020306506827257e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 4.140452807277484e-07 | PASS |