Input 01-propagators.04-etrs_lanczos.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 | 5.329070518200751e-15 | PASS |
| Energy [step 20] | -1.060637200596971e+01 | -1.060637200596971e+01 | 1.060000000000000e-13 | 3.552713678800501e-15 | PASS |
| Multipoles [step 0] | 3.669018214247366e-16 | 5.879834888021430e-16 | 4.510000000000000e-15 | -2.210816673774064e-16 | PASS |
| Multipoles [step 20] | -1.265864295118337e-01 | -1.265864295118344e-01 | 7.840000000000000e-14 | 6.938893903907228e-16 | PASS |
| Forces [step 0] | 8.537673799433865e-02 | 8.537673799434686e-02 | 2.170000000000000e-14 | -8.215650382226158e-15 | PASS |
| Forces [step 20] | 7.967423673804852e-02 | 7.967423673803031e-02 | 4.640000000000000e-14 | 1.820765760385257e-14 | PASS |