Input 14-fullerene_unpacked.02-td-unpacked.inp
Commits >
Commit 9a893b9dbe73f1d3f49cd24e2707361da541a5ca >
Run cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -3.184216450128284e+02 | -3.184216450128310e+02 | 1.570000000000000e-11 | 2.557953848736361e-12 | PASS |
| Energy [step 20] | -3.184094654954736e+02 | -3.184094654954693e+02 | 5.150000000000000e-11 | -4.263256414560601e-12 | PASS |
| Multipoles [step 0] | -1.207037944333661e-03 | -1.211520628226222e-03 | 8.480000000000000e-06 | 4.482683892560952e-06 | PASS |
| Multipoles [step 20] | -2.020306578754843e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | 3.421176950624272e-07 | PASS |