Input 23-td_qedft_breit_pxlda_adiabatic.02-td.inp
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.351387940465789e+01 | -1.351387940465781e+01 | 5.000000000000000e-13 | -7.993605777301127e-14 | PASS |
| Energy [step 52] | -1.351350086579659e+01 | -1.351350086579652e+01 | 5.000000000000000e-13 | -6.572520305780927e-14 | PASS |
| Multipoles [step 0] | 2.729831506753156e-16 | 0.000000000000000e+00 | 1.000000000000000e-15 | 2.729831506753156e-16 | PASS |
| Multipoles [step 52] | -3.793333093334395e-03 | -3.793333093268998e-03 | 1.000000000000000e-13 | -6.539690663998066e-14 | PASS |