Input 12-electronic_subsystem_propagators.03-aetrs.inp
Commits >
Commit adc9f2ea8065b70b337db7e35c2a67771b9e5a60 >
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 | 3.197442310920451e-14 | PASS |
| Energy [step 20] | -1.060637197121567e+01 | -1.060637197121568e+01 | 1.060000000000000e-13 | 8.881784197001252e-15 | PASS |
| Multipoles [step 0] | 3.956110341662294e-16 | 0.000000000000000e+00 | 5.000000000000000e-15 | 3.956110341662294e-16 | PASS |
| Multipoles [step 20] | -1.265533510652002e-01 | -1.265533510652042e-01 | 5.070000000000000e-15 | 3.996802888650564e-15 | PASS |