Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit 08a5f74afd5d598cfac916cc3bce9be78be030c2 >
Run foss_cmake: [foss2022a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128289e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 2.046363078989089e-12 | PASS |
| Energy [step 20] | -3.184094654954762e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -6.878053682157770e-12 | PASS |
| Multipoles [step 0] | -1.206885091774815e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.635536451407180e-06 | PASS |
| Multipoles [step 20] | -2.020306512004309e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 4.088682290515067e-07 | PASS |