Input 15-electronic_system_restart.04-td_restart_part2.inp
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
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 | 2.842170943040401e-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 | 2.600000000000000e-15 | 2.026157019940911e-15 | PASS |