Input 01-propagators.06-aetrs.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] | -1.060637353666412e+01 | -1.060637353666412e+01 | 1.060000000000000e-13 | 3.552713678800501e-15 | PASS |
| Multipoles [step 0] | -1.140935246670208e-15 | 5.879834888021430e-16 | 4.510000000000000e-15 | -1.728918735472351e-15 | PASS |
| Multipoles [step 20] | -1.265509663990589e-01 | -1.265509663990525e-01 | 1.300000000000000e-14 | -6.383782391594650e-15 | PASS |
| Forces [step 0] | 8.537673799433954e-02 | 8.537673799434686e-02 | 2.170000000000000e-14 | -7.327471962526033e-15 | PASS |
| Forces [step 20] | 7.966840852245216e-02 | 7.966840852245660e-02 | 1.950000000000000e-14 | -4.440892098500626e-15 | PASS |