Input 01-propagators.03-etrs_taylor.inp
Commits >
Commit 584f61e8603689505e758f366f49c21c2e481def >
Run foss_cuda_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.060686608766758e+01 | -1.060686608766762e+01 | 1.060000000000000e-13 | 4.085620730620576e-14 | PASS |
| Energy [step 20] | -1.060637205318229e+01 | -1.060637205318229e+01 | 1.060000000000000e-13 | 5.329070518200751e-15 | PASS |
| Multipoles [step 0] | -1.140935246670208e-15 | 5.879834888021430e-16 | 4.510000000000000e-15 | -1.728918735472351e-15 | PASS |
| Multipoles [step 20] | -1.265536606512471e-01 | -1.265536606512456e-01 | 1.130000000000000e-14 | -1.498801083243961e-15 | PASS |
| Forces [step 0] | 8.537673799433954e-02 | 8.537673799434686e-02 | 2.170000000000000e-14 | -7.327471962526033e-15 | PASS |
| Forces [step 20] | 7.966960326023820e-02 | 7.966960326024397e-02 | 1.810000000000000e-14 | -5.773159728050814e-15 | PASS |