Input 15-electronic_system_restart.04-td_restart_part2.inp
Commits >
Commit ff858744384f796bd1ad65ff45f26dd2d219c42c >
Run foss_cuda_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.060686608766757e+01 | -1.060686608766760e+01 | 1.060000000000000e-13 | 3.197442310920451e-14 | PASS |
| Energy [step 20] | -1.060637353666430e+01 | -1.060637353666430e+01 | 1.060000000000000e-13 | -1.776356839400250e-15 | PASS |
| Multipoles [step 0] | 3.956110341662294e-16 | -8.908015926463452e-16 | 4.090000000000000e-15 | 1.286412626812575e-15 | PASS |
| Multipoles [step 20] | -1.265509664058012e-01 | -1.265509664058046e-01 | 4.850000000000000e-15 | 3.358424649491099e-15 | PASS |