Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp
Commits >
Commit 6873b983d1904fe0612bd483f61737dd2d8ed971 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.351259613523208e+01 | -1.351259613523188e+01 | 2.520000000000000e-13 | -1.989519660128281e-13 | PASS |
| Energy [step 52] | -1.351221767670788e+01 | -1.351221767670754e+01 | 4.630000000000000e-13 | -3.339550858072471e-13 | PASS |
| Multipoles [step 0] | 1.497448556667873e-16 | 0.000000000000000e+00 | 1.000000000000000e-15 | 1.497448556667873e-16 | PASS |
| Multipoles [step 52] | -3.817238054776202e-03 | -3.817238054773396e-03 | 6.510000000000000e-14 | -2.805915222392485e-15 | PASS |