Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit 370adda2f0c97e5430265c4ac8d8eb630d5276fb >
Run foss_mpi_opt_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128258e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 5.172751116333529e-12 | PASS |
| Energy [step 20] | -3.184094654954747e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -5.400124791776761e-12 | PASS |
| Multipoles [step 0] | -1.207088478270807e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.432149955415016e-06 | PASS |
| Multipoles [step 20] | -2.020306600919270e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 3.199532683240136e-07 | PASS |