Input 01-propagators.04-etrs_lanczos.inp
Commits >
Commit b7dcc99023940be2b83de00317ffa33e598f3f55 >
Run intel_autotools: [intel2023a-serial]
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] | -1.060637200596973e+01 | -1.060637200596971e+01 | 1.060000000000000e-13 | -2.486899575160351e-14 | PASS |
| Multipoles [step 0] | 1.783070700366995e-15 | 1.824331091466839e-16 | 4.490000000000000e-15 | 1.600637591220311e-15 | PASS |
| Multipoles [step 20] | -1.265864295118269e-01 | -1.265864295118192e-01 | 4.360000000000000e-14 | -7.716050021144838e-15 | PASS |
| Forces [step 0] | 8.537673799433421e-02 | 8.537673799433354e-02 | 1.250000000000000e-14 | 6.661338147750939e-16 | PASS |
| Forces [step 20] | 7.967423673800544e-02 | 7.967423673803031e-02 | 4.640000000000000e-14 | -2.486899575160351e-14 | PASS |