Input 01-propagators.04-etrs_lanczos.inp
Commits >
Commit db5a37a45dcf968be97880dd1f5766f32ce63f3a >
Run intel_omp_autotools: [intel2022a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.060686608766761e+01 | -1.060686608766762e+01 | 1.060000000000000e-13 | 1.065814103640150e-14 | PASS |
| Energy [step 20] | -1.060637200596972e+01 | -1.060637200596971e+01 | 1.060000000000000e-13 | -8.881784197001252e-15 | PASS |
| Multipoles [step 0] | 4.685978167995319e-15 | 5.879834888021430e-16 | 4.510000000000000e-15 | 4.097994679193176e-15 | PASS |
| Multipoles [step 20] | -1.265864295117889e-01 | -1.265864295118224e-01 | 6.900000000000000e-14 | 3.344546861683284e-14 | PASS |
| Forces [step 0] | 8.537673799433199e-02 | 8.537673799433354e-02 | 1.250000000000000e-14 | -1.554312234475219e-15 | PASS |
| Forces [step 20] | 7.967423673807117e-02 | 7.967423673803031e-02 | 4.640000000000000e-14 | 4.085620730620576e-14 | PASS |