Input 23-td_qedft_breit_pxlda_adiabatic.03-td_restart.inp
Commits >
Commit 3874475d54e6d4931162c1a62f5667add8f8f561 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 83] | -1.351221987619875e+01 | -1.351221987619888e+01 | 2.640000000000000e-13 | 1.278976924368180e-13 | PASS |
| Energy [step 103] | -1.351222686779589e+01 | -1.351222686779602e+01 | 2.760000000000000e-13 | 1.261213355974178e-13 | PASS |
| Multipoles [step 83] | 5.517961618675930e-04 | 5.517961618581718e-04 | 1.400000000000000e-13 | 9.421174777812791e-15 | PASS |
| Multipoles [step 103] | 3.943654428770050e-03 | 3.943654428896824e-03 | 1.990000000000000e-13 | -1.267735916243851e-13 | PASS |