Input 15-crank_nicolson.05-freeze_sae.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-5.571938259894264e-01 |
-5.571938259894033e-01 |
4.010000000000000e-14 |
-2.309263891220326e-14 |
PASS |
| Energy [step 5] |
-5.157327347418551e-01 |
-5.157327347418467e-01 |
2.780000000000000e-14 |
-8.437694987151190e-15 |
PASS |
| Energy [step 10] |
-5.157327347416890e-01 |
-5.157327347416979e-01 |
3.030000000000000e-14 |
8.881784197001252e-15 |
PASS |
| Energy [step 15] |
-5.157327347416295e-01 |
-5.157327347416570e-01 |
1.950000000000000e-14 |
2.753353101070388e-14 |
FAIL |
| Energy [step 20] |
-5.157327347416872e-01 |
-5.157327347416979e-01 |
4.100000000000000e-14 |
1.065814103640150e-14 |
PASS |
| Dipole [step 1] |
-3.801268016177285e-15 |
-7.379220068245151e-16 |
5.560000000000000e-15 |
-3.063346009352770e-15 |
PASS |
| Dipole [step 5] |
-1.928247888208938e-01 |
-1.928247888208892e-01 |
4.590000000000000e-15 |
-4.635181127810029e-15 |
FAIL |
| Dipole [step 10] |
-3.545495747886722e-01 |
-3.545495747886674e-01 |
4.430000000000000e-15 |
-4.829470157119431e-15 |
FAIL |
| Dipole [step 15] |
-4.859689858458486e-01 |
-4.859689858458450e-01 |
2.430000000000000e-14 |
-3.608224830031759e-15 |
PASS |
| Dipole [step 20] |
-6.087120870676914e-01 |
-6.087120870676892e-01 |
6.960000000000000e-15 |
-2.220446049250313e-15 |
PASS |