Input 01-propagators.04-etrs_lanczos.inp
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run foss_mpi_omp_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.060686608766762e+01 | -1.060686608766762e+01 | 1.060000000000000e-13 | 3.552713678800501e-15 | PASS |
| Energy [step 20] | -1.060637200596971e+01 | -1.060637200596971e+01 | 1.060000000000000e-13 | -3.552713678800501e-15 | PASS |
| Multipoles [step 0] | 4.185191256056431e-15 | 1.824331091466839e-16 | 4.490000000000000e-15 | 4.002758146909747e-15 | PASS |
| Multipoles [step 20] | -1.265864295117829e-01 | -1.265864295118192e-01 | 4.360000000000000e-14 | 3.627653732962699e-14 | PASS |
| Forces [step 0] | 8.537673799433465e-02 | 8.537673799433354e-02 | 1.250000000000000e-14 | 1.110223024625157e-15 | PASS |
| Forces [step 20] | 7.967423673806762e-02 | 7.967423673803031e-02 | 4.640000000000000e-14 | 3.730349362740526e-14 | PASS |