Input 15-electronic_system_restart.02-td_full.inp
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.060686608766758e+01 | -1.060686608766760e+01 | 1.060000000000000e-13 | 2.486899575160351e-14 | PASS |
| Energy [step 20] | -1.060637353666431e+01 | -1.060637353666430e+01 | 1.060000000000000e-13 | -5.329070518200751e-15 | PASS |
| Multipoles [step 0] | 1.791989225465116e-15 | 6.744248104320451e-16 | 4.500000000000000e-15 | 1.117564415033071e-15 | PASS |
| Multipoles [step 20] | -1.265509664058016e-01 | -1.265509664058023e-01 | 4.920000000000000e-15 | 6.938893903907228e-16 | PASS |