Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.351259613523210e+01 | -1.351259613523188e+01 | 2.520000000000000e-13 | -2.184918912462308e-13 | PASS |
| Energy [step 52] | -1.351221767670791e+01 | -1.351221767670754e+01 | 4.630000000000000e-13 | -3.641531520770513e-13 | PASS |
| Multipoles [step 0] | 2.576357373071679e-16 | 0.000000000000000e+00 | 1.000000000000000e-15 | 2.576357373071679e-16 | PASS |
| Multipoles [step 52] | -3.817238054777279e-03 | -3.817238054773396e-03 | 6.510000000000000e-14 | -3.882744820105088e-15 | PASS |