Input 12-electronic_subsystem_propagators.03-aetrs.inp
Commits >
Commit 6e9e1a4536d8fe2a292bd24d601ed608cb4be1e6 >
Run foss_cmake: [foss2022a-serial, foss-full]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.060686608766758e+01 | -1.060686608766760e+01 | 1.060000000000000e-13 | 2.131628207280301e-14 | PASS |
| Energy [step 20] | -1.060637197121568e+01 | -1.060637197121568e+01 | 1.060000000000000e-13 | -3.552713678800501e-15 | PASS |
| Multipoles [step 0] | 2.828703092074003e-15 | 0.000000000000000e+00 | 5.000000000000000e-15 | 2.828703092074003e-15 | PASS |
| Multipoles [step 20] | -1.265533510652001e-01 | -1.265533510652042e-01 | 5.070000000000000e-15 | 4.080069615497450e-15 | PASS |