Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit 16a288d93f4684890591c6dab8ffeadb82c84e9a >
Run intel_mpi_omp_autotools: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128289e+02 | -3.184216450128310e+02 | 8.130000000000000e-12 | 2.046363078989089e-12 | PASS |
| Energy [step 20] | -3.184094654954762e+02 | -3.184094654954693e+02 | 3.380000000000000e-11 | -6.878053682157770e-12 | PASS |
| Multipoles [step 0] | -1.206896562541068e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.624065685153661e-06 | PASS |
| Multipoles [step 20] | -2.020306516970791e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 4.039017467150074e-07 | PASS |