Input 01-propagators.04-etrs_lanczos.inp
Commits >
Commit 70b0ad3565a7ed52254e6fb5a8a40b027abeb4a7 >
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] | -1.060637200596970e+01 | -1.060637200596971e+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] | -1.265864295118373e-01 | -1.265864295118224e-01 | 6.900000000000000e-14 | -1.493249968120836e-14 | PASS |
| Forces [step 0] | 8.537673799433643e-02 | 8.537673799433354e-02 | 1.250000000000000e-14 | 2.886579864025407e-15 | PASS |
| Forces [step 20] | 7.967423673804364e-02 | 7.967423673803031e-02 | 4.640000000000000e-14 | 1.332267629550188e-14 | PASS |