Input 12-electronic_subsystem_propagators.03-aetrs.inp
Commits >
Commit 3874475d54e6d4931162c1a62f5667add8f8f561 >
Run foss_cmake: [foss2022a-serial, foss-full]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.060686608766759e+01 | -1.060686608766760e+01 | 1.060000000000000e-13 | 1.243449787580175e-14 | PASS |
| Energy [step 20] | -1.060637197121568e+01 | -1.060637197121568e+01 | 1.060000000000000e-13 | -1.776356839400250e-15 | PASS |
| Multipoles [step 0] | 1.116835871830743e-15 | 0.000000000000000e+00 | 5.000000000000000e-15 | 1.116835871830743e-15 | PASS |
| Multipoles [step 20] | -1.265533510652006e-01 | -1.265533510652018e-01 | 3.540000000000000e-15 | 1.193489751472043e-15 | PASS |