Input 12-electronic_subsystem_propagators.03-aetrs.inp
Commits >
Commit 3d047708c1ab8d71894fb240c9b3cff2ecebd198 >
Run foss-serial-debug: [foss2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.060686608766759e+01 | -1.060686608766760e+01 | 1.060000000000000e-13 | 1.065814103640150e-14 | PASS |
| Energy [step 20] | -1.060637197121569e+01 | -1.060637197121568e+01 | 1.060000000000000e-13 | -5.329070518200751e-15 | PASS |
| Multipoles [step 0] | 2.621652284910507e-15 | 0.000000000000000e+00 | 5.000000000000000e-15 | 2.621652284910507e-15 | PASS |
| Multipoles [step 20] | -1.265533510652040e-01 | -1.265533510651940e-01 | 1.310000000000000e-14 | -9.992007221626409e-15 | PASS |