Input 12-electronic_subsystem_propagators.02-expmid.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] | -1.060686608766762e+01 | -1.060686608766760e+01 | 1.060000000000000e-13 | -1.421085471520200e-14 | PASS |
| Energy [step 20] | -1.060647833783795e+01 | -1.060647833783796e+01 | 1.060000000000000e-13 | 1.421085471520200e-14 | PASS |
| Multipoles [step 0] | -6.797255019583802e-16 | 6.744248104320451e-16 | 4.500000000000000e-15 | -1.354150312390425e-15 | PASS |
| Multipoles [step 20] | -1.108549608270485e-01 | -1.108549608270481e-01 | 3.190000000000000e-15 | -3.608224830031759e-16 | PASS |