Input 12-electronic_subsystem_propagators.03-aetrs.inp
Commits >
Commit 155f01ef7d18124a1050c3611747e8f8b44bbe31 >
Run foss-cmake-zen4: [foss2023a-serial, foss-min]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.060686608766758e+01 | -1.060686608766760e+01 | 1.060000000000000e-13 | 1.953992523340276e-14 | PASS |
| Energy [step 20] | -1.060637197121568e+01 | -1.060637197121568e+01 | 1.060000000000000e-13 | 5.329070518200751e-15 | PASS |
| Multipoles [step 0] | 1.432747536334478e-15 | 0.000000000000000e+00 | 5.000000000000000e-15 | 1.432747536334478e-15 | PASS |
| Multipoles [step 20] | -1.265533510652050e-01 | -1.265533510652042e-01 | 5.070000000000000e-15 | -8.326672684688674e-16 | PASS |