Input 12-electronic_subsystem_propagators.03-aetrs.inp
Commits >
Commit 3d047708c1ab8d71894fb240c9b3cff2ecebd198 >
Run foss_cmake: [foss2022a-mpi, foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.060686608766763e+01 | -1.060686608766760e+01 | 1.060000000000000e-13 | -2.486899575160351e-14 | PASS |
| Energy [step 20] | -1.060637197121569e+01 | -1.060637197121568e+01 | 1.060000000000000e-13 | -8.881784197001252e-15 | PASS |
| Multipoles [step 0] | 8.448867216200202e-16 | 0.000000000000000e+00 | 5.000000000000000e-15 | 8.448867216200202e-16 | PASS |
| Multipoles [step 20] | -1.265533510652044e-01 | -1.265533510651940e-01 | 1.310000000000000e-14 | -1.035282970462958e-14 | PASS |