Input 12-electronic_subsystem_propagators.03-aetrs.inp
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Run intel_mpi_omp_autotools: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.060686608766763e+01 | -1.060686608766760e+01 | 1.060000000000000e-13 | -2.486899575160351e-14 | PASS |
| Energy [step 20] | -1.060637197121568e+01 | -1.060637197121568e+01 | 1.060000000000000e-13 | -1.776356839400250e-15 | PASS |
| Multipoles [step 0] | 1.085916512960639e-15 | 0.000000000000000e+00 | 5.000000000000000e-15 | 1.085916512960639e-15 | PASS |
| Multipoles [step 20] | -1.265533510651996e-01 | -1.265533510652018e-01 | 3.540000000000000e-15 | 2.164934898019055e-15 | PASS |