Input 23-td_qedft_breit_pxlda_adiabatic.03-td_restart.inp
Commits >
Commit 008ad309696fa333cadd72656d8ad6622d802226 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 83] | -1.351221987619915e+01 | -1.351221987619888e+01 | 3.010000000000000e-13 | -2.646771690706373e-13 | PASS |
| Energy [step 103] | -1.351222686779633e+01 | -1.351222686779602e+01 | 3.420000000000000e-13 | -3.144151605738443e-13 | PASS |
| Multipoles [step 83] | 5.517961618891286e-04 | 5.517961618275108e-04 | 1.210000000000000e-13 | 6.161781154756518e-14 | PASS |
| Multipoles [step 103] | 3.943654428781862e-03 | 3.943654428877074e-03 | 2.080000000000000e-13 | -9.521203270246303e-14 | PASS |