Input 15-crank_nicolson.05-freeze_sae.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-5.571938259894006e-01 |
-5.571938259894033e-01 |
4.010000000000000e-14 |
2.664535259100376e-15 |
PASS |
| Energy [step 5] |
-5.157327347418356e-01 |
-5.157327347418467e-01 |
2.780000000000000e-14 |
1.110223024625157e-14 |
PASS |
| Energy [step 10] |
-5.157327347416943e-01 |
-5.157327347416979e-01 |
3.030000000000000e-14 |
3.552713678800501e-15 |
PASS |
| Energy [step 15] |
-5.157327347416570e-01 |
-5.157327347416570e-01 |
1.950000000000000e-14 |
0.000000000000000e+00 |
PASS |
| Energy [step 20] |
-5.157327347416739e-01 |
-5.157327347416979e-01 |
4.100000000000000e-14 |
2.398081733190338e-14 |
PASS |
| Dipole [step 1] |
7.844115981758825e-17 |
-7.379220068245151e-16 |
5.560000000000000e-15 |
8.163631666421034e-16 |
PASS |
| Dipole [step 5] |
-1.928247888208893e-01 |
-1.928247888208892e-01 |
4.590000000000000e-15 |
-8.326672684688674e-17 |
PASS |
| Dipole [step 10] |
-3.545495747886666e-01 |
-3.545495747886674e-01 |
4.430000000000000e-15 |
7.771561172376096e-16 |
PASS |
| Dipole [step 15] |
-4.859689858458460e-01 |
-4.859689858458450e-01 |
2.430000000000000e-14 |
-9.436895709313831e-16 |
PASS |
| Dipole [step 20] |
-6.087120870676898e-01 |
-6.087120870676892e-01 |
6.960000000000000e-15 |
-5.551115123125783e-16 |
PASS |