Input 15-crank_nicolson.05-freeze_sae.inp
Commits >
Commit eff5280d65f29f89ecacf7a6e9c2d06020a47460 >
Run foss_min_autotools: [foss2023b-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -5.571938259894113e-01 | -5.571938259894010e-01 | 2.390000000000000e-14 | -1.021405182655144e-14 | PASS |
| Energy [step 5] | -5.157327347418587e-01 | -5.157327347418511e-01 | 2.490000000000000e-14 | -7.549516567451064e-15 | PASS |
| Energy [step 10] | -5.157327347417219e-01 | -5.157327347416979e-01 | 3.030000000000000e-14 | -2.398081733190338e-14 | PASS |
| Energy [step 15] | -5.157327347416455e-01 | -5.157327347416708e-01 | 2.780000000000000e-14 | 2.531308496145357e-14 | PASS |
| Energy [step 20] | -5.157327347416837e-01 | -5.157327347416979e-01 | 4.100000000000000e-14 | 1.421085471520200e-14 | PASS |
| Dipole [step 1] | -1.576976769383353e-15 | -7.379220068245151e-16 | 5.560000000000000e-15 | -8.390547625588379e-16 | PASS |
| Dipole [step 5] | -1.928247888208909e-01 | -1.928247888208892e-01 | 4.590000000000000e-15 | -1.720845688168993e-15 | PASS |
| Dipole [step 10] | -3.545495747886697e-01 | -3.545495747886674e-01 | 4.430000000000000e-15 | -2.275957200481571e-15 | PASS |
| Dipole [step 15] | -4.859689858458489e-01 | -4.859689858458459e-01 | 4.950000000000000e-15 | -2.997602166487923e-15 | PASS |
| Dipole [step 20] | -6.087120870676923e-01 | -6.087120870676892e-01 | 6.960000000000000e-15 | -3.108624468950438e-15 | PASS |