Input 01-propagators.04-etrs_lanczos.inp
Commits >
Commit b7dcc99023940be2b83de00317ffa33e598f3f55 >
Run foss_valgrind_autotools: [foss2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.060686608766760e+01 | -1.060686608766762e+01 | 1.060000000000000e-13 | 1.598721155460225e-14 | PASS |
| Energy [step 20] | -1.060637200596971e+01 | -1.060637200596971e+01 | 1.060000000000000e-13 | -5.329070518200751e-15 | PASS |
| Multipoles [step 0] | 3.824163337070360e-15 | 1.824331091466839e-16 | 4.490000000000000e-15 | 3.641730227923676e-15 | PASS |
| Multipoles [step 20] | -1.265864295118569e-01 | -1.265864295118192e-01 | 4.360000000000000e-14 | -3.774758283725532e-14 | PASS |
| Forces [step 0] | 8.537673799432222e-02 | 8.537673799433354e-02 | 1.250000000000000e-14 | -1.132427485117660e-14 | PASS |
| Forces [step 20] | 7.967423673801433e-02 | 7.967423673803031e-02 | 4.640000000000000e-14 | -1.598721155460225e-14 | PASS |