Input 01-propagators.06-aetrs.inp
Commits >
Commit 3d047708c1ab8d71894fb240c9b3cff2ecebd198 >
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 | 7.105427357601002e-15 | PASS |
| Energy [step 20] | -1.060637353666411e+01 | -1.060637353666412e+01 | 1.060000000000000e-13 | 7.105427357601002e-15 | PASS |
| Multipoles [step 0] | 3.669018214247366e-16 | 5.879834888021430e-16 | 4.510000000000000e-15 | -2.210816673774064e-16 | PASS |
| Multipoles [step 20] | -1.265509663990593e-01 | -1.265509663990525e-01 | 1.300000000000000e-14 | -6.827871601444713e-15 | PASS |
| Forces [step 0] | 8.537673799433865e-02 | 8.537673799434686e-02 | 2.170000000000000e-14 | -8.215650382226158e-15 | PASS |
| Forces [step 20] | 7.966840852245261e-02 | 7.966840852245660e-02 | 1.950000000000000e-14 | -3.996802888650564e-15 | PASS |