Input 15-electronic_system_restart.02-td_full.inp
Commits >
Commit 9a893b9dbe73f1d3f49cd24e2707361da541a5ca >
Run cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.060686608766761e+01 | -1.060686608766760e+01 | 1.060000000000000e-13 | -1.065814103640150e-14 | PASS |
| Energy [step 20] | -1.060637353666430e+01 | -1.060637353666430e+01 | 1.060000000000000e-13 | 1.776356839400250e-15 | PASS |
| Multipoles [step 0] | -4.233139717663842e-16 | -8.908015926463452e-16 | 4.090000000000000e-15 | 4.674876208799610e-16 | PASS |
| Multipoles [step 20] | -1.265509664058022e-01 | -1.265509664058046e-01 | 4.850000000000000e-15 | 2.442490654175344e-15 | PASS |