Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128283e+02 | -3.184216450128310e+02 | 8.130000000000000e-12 | 2.671640686457977e-12 | PASS |
| Energy [step 20] | -3.184094654954781e+02 | -3.184094654954693e+02 | 3.380000000000000e-11 | -8.810729923425242e-12 | PASS |
| Multipoles [step 0] | -1.206906602700786e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.614025525436155e-06 | PASS |
| Multipoles [step 20] | -2.020306521475244e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 3.993972943483470e-07 | PASS |