Input 01-propagators.03-etrs_taylor.inp
Commits >
Commit efc44ae2259e56922145db535c825ce53e4127cb >
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] | -1.060637205318229e+01 | -1.060637205318229e+01 | 1.060000000000000e-13 | -1.776356839400250e-15 | PASS |
| Multipoles [step 0] | 3.669018214247366e-16 | 5.879834888021430e-16 | 4.510000000000000e-15 | -2.210816673774064e-16 | PASS |
| Multipoles [step 20] | -1.265536606512512e-01 | -1.265536606512539e-01 | 4.510000000000000e-15 | 2.664535259100376e-15 | PASS |
| Forces [step 0] | 8.537673799433643e-02 | 8.537673799433354e-02 | 1.250000000000000e-14 | 2.886579864025407e-15 | PASS |
| Forces [step 20] | 7.966960326023731e-02 | 7.966960326023198e-02 | 5.860000000000000e-15 | 5.329070518200751e-15 | PASS |