Input 15-crank_nicolson.05-freeze_sae.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-5.571785867386655e-01 |
-5.571785867386825e-01 |
3.360000000000000e-14 |
1.698641227676490e-14 |
PASS |
| Energy [step 5] |
-5.157175387707319e-01 |
-5.157175387707220e-01 |
2.970000000000000e-14 |
-9.880984919163893e-15 |
PASS |
| Energy [step 10] |
-5.157175387705738e-01 |
-5.157175387705686e-01 |
2.910000000000000e-14 |
-5.218048215738236e-15 |
PASS |
| Energy [step 15] |
-5.157175387705258e-01 |
-5.157175387705311e-01 |
3.190000000000000e-14 |
5.218048215738236e-15 |
PASS |
| Energy [step 20] |
-5.157175387705587e-01 |
-5.157175387705559e-01 |
3.990000000000000e-14 |
-2.775557561562891e-15 |
PASS |
| Dipole [step 1] |
-1.424731011116174e-15 |
-7.379220068245151e-16 |
2.190000000000000e-15 |
-6.868090042916588e-16 |
PASS |
| Dipole [step 5] |
-1.928249235315506e-01 |
-1.928249235315500e-01 |
9.640000000000000e-14 |
-6.383782391594650e-16 |
PASS |
| Dipole [step 10] |
-3.545506487499306e-01 |
-3.545506487499300e-01 |
1.770000000000000e-14 |
-6.661338147750939e-16 |
PASS |
| Dipole [step 15] |
-4.859711921536410e-01 |
-4.859711921536400e-01 |
2.430000000000000e-14 |
-9.992007221626409e-16 |
PASS |
| Dipole [step 20] |
-6.087147749202593e-01 |
-6.087147749202590e-01 |
3.040000000000000e-14 |
-2.220446049250313e-16 |
PASS |