Input 12-electronic_subsystem_propagators.03-aetrs.inp
Commits >
Commit 0a2b0bf36feedeffb58bf70ad5882092a0f43b8a >
Run foss_cmake: [foss2022a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.060686608766764e+01 | -1.060686608766760e+01 | 1.060000000000000e-13 | -3.730349362740526e-14 | PASS |
| Energy [step 20] | -1.060637197121569e+01 | -1.060637197121568e+01 | 1.060000000000000e-13 | -5.329070518200751e-15 | PASS |
| Multipoles [step 0] | -1.210472335159887e-15 | 0.000000000000000e+00 | 5.000000000000000e-15 | -1.210472335159887e-15 | PASS |
| Multipoles [step 20] | -1.265533510652027e-01 | -1.265533510652042e-01 | 5.070000000000000e-15 | 1.554312234475219e-15 | PASS |