Input 23-td_qedft_breit_pxlda_adiabatic.03-td_restart.inp
Commits >
Commit 4104ea28a473696fae3c7fad4406bf86d5f6976c >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 83] | -1.351221987619896e+01 | -1.351221987619888e+01 | 3.010000000000000e-13 | -8.348877145181177e-14 | PASS |
| Energy [step 103] | -1.351222686779613e+01 | -1.351222686779602e+01 | 3.420000000000000e-13 | -1.083577672034153e-13 | PASS |
| Multipoles [step 83] | 5.517961619034557e-04 | 5.517961618581718e-04 | 1.400000000000000e-13 | 4.528387213820206e-14 | PASS |
| Multipoles [step 103] | 3.943654428792426e-03 | 3.943654428896824e-03 | 1.990000000000000e-13 | -1.043973935077602e-13 | PASS |