Input 12-electronic_subsystem_propagators.03-aetrs.inp
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.060686608766762e+01 | -1.060686608766760e+01 | 1.060000000000000e-13 | -1.776356839400250e-14 | PASS |
| Energy [step 20] | -1.060637197121567e+01 | -1.060637197121568e+01 | 1.060000000000000e-13 | 8.881784197001252e-15 | PASS |
| Multipoles [step 0] | -3.625459307765588e-15 | 0.000000000000000e+00 | 5.000000000000000e-15 | -3.625459307765588e-15 | PASS |
| Multipoles [step 20] | -1.265533510652030e-01 | -1.265533510652018e-01 | 3.540000000000000e-15 | -1.249000902703301e-15 | PASS |