Input 15-electronic_system_restart.02-td_full.inp
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
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 | 3.019806626980426e-14 | PASS |
| Energy [step 20] | -1.060637353666430e+01 | -1.060637353666430e+01 | 1.060000000000000e-13 | 0.000000000000000e+00 | PASS |
| Multipoles [step 0] | 2.145211010782036e-15 | 6.744248104320451e-16 | 4.500000000000000e-15 | 1.470786200349991e-15 | PASS |
| Multipoles [step 20] | -1.265509664058003e-01 | -1.265509664058023e-01 | 4.920000000000000e-15 | 2.026157019940911e-15 | PASS |