Input 15-crank_nicolson.05-freeze_sae.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-5.571938259893944e-01 |
-5.571938259894033e-01 |
4.010000000000000e-14 |
8.881784197001252e-15 |
PASS |
| Energy [step 5] |
-5.157327347418507e-01 |
-5.157327347418467e-01 |
2.780000000000000e-14 |
-3.996802888650564e-15 |
PASS |
| Energy [step 10] |
-5.157327347417352e-01 |
-5.157327347416979e-01 |
3.030000000000000e-14 |
-3.730349362740526e-14 |
FAIL |
| Energy [step 15] |
-5.157327347416757e-01 |
-5.157327347416570e-01 |
1.950000000000000e-14 |
-1.865174681370263e-14 |
PASS |
| Energy [step 20] |
-5.157327347417094e-01 |
-5.157327347416979e-01 |
4.100000000000000e-14 |
-1.154631945610163e-14 |
PASS |
| Dipole [step 1] |
-1.758705120012867e-15 |
-7.379220068245151e-16 |
5.560000000000000e-15 |
-1.020783113188352e-15 |
PASS |
| Dipole [step 5] |
-1.928247888208929e-01 |
-1.928247888208892e-01 |
4.590000000000000e-15 |
-3.719247132494274e-15 |
PASS |
| Dipole [step 10] |
-3.545495747886721e-01 |
-3.545495747886674e-01 |
4.430000000000000e-15 |
-4.718447854656915e-15 |
FAIL |
| Dipole [step 15] |
-4.859689858458495e-01 |
-4.859689858458450e-01 |
2.430000000000000e-14 |
-4.496403249731884e-15 |
PASS |
| Dipole [step 20] |
-6.087120870676941e-01 |
-6.087120870676892e-01 |
6.960000000000000e-15 |
-4.884981308350689e-15 |
PASS |