Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit 968a3ff7080ffa1f89f08d37efc7416527769dec >
Run foss_mpi_opt_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128297e+02 | -3.184216450128310e+02 | 8.130000000000000e-12 | 1.307398633798584e-12 | PASS |
| Energy [step 20] | -3.184094654954748e+02 | -3.184094654954693e+02 | 3.380000000000000e-11 | -5.456968210637569e-12 | PASS |
| Multipoles [step 0] | -1.207080236940342e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.440391285880302e-06 | PASS |
| Multipoles [step 20] | -2.020306597117199e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 3.237553389823233e-07 | PASS |