Input 01-propagators.06-aetrs.inp
Commits >
Commit 3874475d54e6d4931162c1a62f5667add8f8f561 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.060686608766761e+01 | -1.060686608766762e+01 | 1.060000000000000e-13 | 5.329070518200751e-15 | PASS |
| Energy [step 20] | -1.060637353666411e+01 | -1.060637353666412e+01 | 1.060000000000000e-13 | 7.105427357601002e-15 | PASS |
| Multipoles [step 0] | -3.902819473849961e-15 | 1.824331091466839e-16 | 4.490000000000000e-15 | -4.085252582996645e-15 | PASS |
| Multipoles [step 20] | -1.265509663990632e-01 | -1.265509663990613e-01 | 4.000000000000000e-15 | -1.915134717478395e-15 | PASS |
| Forces [step 0] | 8.537673799433820e-02 | 8.537673799433354e-02 | 1.250000000000000e-14 | 4.662936703425657e-15 | PASS |
| Forces [step 20] | 7.966840852245172e-02 | 7.966840852244794e-02 | 8.059999999999999e-15 | 3.774758283725532e-15 | PASS |