Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit 32c00845502bbc3ac64555e3c727792a7ab72a6a >
Run GCI_foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128278e+02 | -3.184216450128310e+02 | 6.500000000000000e-12 | 3.240074875066057e-12 | PASS |
| Energy [step 20] | -3.184094654954769e+02 | -3.184094654954693e+02 | 1.330000000000000e-11 | -7.560174708487466e-12 | PASS |
| Multipoles [step 0] | -1.206911621455309e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.609006770913077e-06 | PASS |
| Multipoles [step 20] | -2.020306523504845e+00 | -2.020306920872538e+00 | 6.190000000000000e-07 | 3.973676929724945e-07 | PASS |