Input 01-propagators.04-etrs_lanczos.inp
Commits >
Commit eff5280d65f29f89ecacf7a6e9c2d06020a47460 >
Run foss_min_autotools: [foss2022a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.060686608766760e+01 | -1.060686608766762e+01 | 1.060000000000000e-13 | 1.776356839400250e-14 | PASS |
| Energy [step 20] | -1.060637200596972e+01 | -1.060637200596971e+01 | 1.060000000000000e-13 | -8.881784197001252e-15 | PASS |
| Multipoles [step 0] | 4.267685692143329e-15 | 1.824331091466839e-16 | 4.490000000000000e-15 | 4.085252582996645e-15 | PASS |
| Multipoles [step 20] | -1.265864295118096e-01 | -1.265864295118192e-01 | 4.360000000000000e-14 | 9.603429163007604e-15 | PASS |
| Forces [step 0] | 8.537673799433643e-02 | 8.537673799433354e-02 | 1.250000000000000e-14 | 2.886579864025407e-15 | PASS |
| Forces [step 20] | 7.967423673801033e-02 | 7.967423673803031e-02 | 4.640000000000000e-14 | -1.998401444325282e-14 | PASS |