Input 12-electronic_subsystem_propagators.03-aetrs.inp
Commits >
Commit 6fea4ae0129736a1dfe4fc8183ca68b9f7403b45 >
Run foss_cmake: [foss2022a-mpi, foss-min-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] | -1.060637197121569e+01 | -1.060637197121568e+01 | 1.060000000000000e-13 | -1.243449787580175e-14 | PASS |
| Multipoles [step 0] | 8.448867216200202e-16 | 0.000000000000000e+00 | 5.000000000000000e-15 | 8.448867216200202e-16 | PASS |
| Multipoles [step 20] | -1.265533510652017e-01 | -1.265533510652042e-01 | 5.070000000000000e-15 | 2.525757381022231e-15 | PASS |