Input 01-propagators.06-aetrs.inp
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.060686608766760e+01 | -1.060686608766762e+01 | 1.060000000000000e-13 | 1.421085471520200e-14 | PASS |
| Energy [step 20] | -1.060637353666411e+01 | -1.060637353666412e+01 | 1.060000000000000e-13 | 1.065814103640150e-14 | PASS |
| Multipoles [step 0] | 3.739734840161810e-15 | 1.824331091466839e-16 | 4.490000000000000e-15 | 3.557301731015126e-15 | PASS |
| Multipoles [step 20] | -1.265509663990587e-01 | -1.265509663990613e-01 | 4.000000000000000e-15 | 2.553512956637860e-15 | PASS |
| Forces [step 0] | 8.537673799433598e-02 | 8.537673799433354e-02 | 1.250000000000000e-14 | 2.442490654175344e-15 | PASS |
| Forces [step 20] | 7.966840852245083e-02 | 7.966840852244794e-02 | 8.059999999999999e-15 | 2.886579864025407e-15 | PASS |