Input 01-propagators.03-etrs_taylor.inp
Commits >
Commit 584f61e8603689505e758f366f49c21c2e481def >
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] | -1.060637205318228e+01 | -1.060637205318229e+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] | -1.265536606512467e-01 | -1.265536606512456e-01 | 1.130000000000000e-14 | -1.137978600240785e-15 | PASS |
| Forces [step 0] | 8.537673799433865e-02 | 8.537673799434686e-02 | 2.170000000000000e-14 | -8.215650382226158e-15 | PASS |
| Forces [step 20] | 7.966960326023997e-02 | 7.966960326024397e-02 | 1.810000000000000e-14 | -3.996802888650564e-15 | PASS |