Input 15-crank_nicolson.05-freeze_sae.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-5.571785867386762e-01 |
-5.571785867386825e-01 |
4.400000000000000e-14 |
6.328271240363392e-15 |
PASS |
| Energy [step 5] |
-5.157175387707186e-01 |
-5.157175387707220e-01 |
2.970000000000000e-14 |
3.441691376337985e-15 |
PASS |
| Energy [step 10] |
-5.157175387705756e-01 |
-5.157175387705686e-01 |
2.910000000000000e-14 |
-6.994405055138486e-15 |
PASS |
| Energy [step 15] |
-5.157175387705258e-01 |
-5.157175387705311e-01 |
3.190000000000000e-14 |
5.218048215738236e-15 |
PASS |
| Energy [step 20] |
-5.157175387705463e-01 |
-5.157175387705559e-01 |
3.990000000000000e-14 |
9.658940314238862e-15 |
PASS |
| Dipole [step 1] |
4.071826862204964e-16 |
-7.379220068245151e-16 |
2.190000000000000e-15 |
1.145104693045012e-15 |
PASS |
| Dipole [step 5] |
-1.928249235315485e-01 |
-1.928249235315500e-01 |
9.640000000000000e-14 |
1.471045507628332e-15 |
PASS |
| Dipole [step 10] |
-3.545506487499294e-01 |
-3.545506487499300e-01 |
1.770000000000000e-14 |
5.551115123125783e-16 |
PASS |
| Dipole [step 15] |
-4.859711921536400e-01 |
-4.859711921536400e-01 |
2.430000000000000e-14 |
-5.551115123125783e-17 |
PASS |
| Dipole [step 20] |
-6.087147749202588e-01 |
-6.087147749202590e-01 |
3.040000000000000e-14 |
2.220446049250313e-16 |
PASS |