Input 12-electronic_subsystem_propagators.03-aetrs.inp
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run foss_cuda_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.060686608766757e+01 | -1.060686608766760e+01 | 1.060000000000000e-13 | 3.019806626980426e-14 | PASS |
| Energy [step 20] | -1.060637197121567e+01 | -1.060637197121568e+01 | 1.060000000000000e-13 | 1.243449787580175e-14 | PASS |
| Multipoles [step 0] | 2.145211010782036e-15 | 0.000000000000000e+00 | 5.000000000000000e-15 | 2.145211010782036e-15 | PASS |
| Multipoles [step 20] | -1.265533510651992e-01 | -1.265533510652018e-01 | 3.540000000000000e-15 | 2.581268532253489e-15 | PASS |