Input 15-electronic_system_restart.02-td_full.inp
Commits >
Commit 57f8ca8d342504024fed98c8f4356f69f5870627 >
Run foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.060686608766762e+01 | -1.060686608766760e+01 | 1.060000000000000e-13 | -2.131628207280301e-14 | PASS |
| Energy [step 20] | -1.060637353666430e+01 | -1.060637353666430e+01 | 1.060000000000000e-13 | 0.000000000000000e+00 | PASS |
| Multipoles [step 0] | 1.035714543913980e-15 | -8.908015926463452e-16 | 4.090000000000000e-15 | 1.926516136560325e-15 | PASS |
| Multipoles [step 20] | -1.265509664058065e-01 | -1.265509664058046e-01 | 4.850000000000000e-15 | -1.915134717478395e-15 | PASS |