Input 12-electronic_subsystem_propagators.03-aetrs.inp
Commits >
Commit 584f61e8603689505e758f366f49c21c2e481def >
Run foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.060686608766762e+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] | 1.035714543913980e-15 | 0.000000000000000e+00 | 5.000000000000000e-15 | 1.035714543913980e-15 | PASS |
| Multipoles [step 20] | -1.265533510651840e-01 | -1.265533510651940e-01 | 1.310000000000000e-14 | 1.001976279724204e-14 | PASS |