Input 15-crank_nicolson.05-freeze_sae.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-5.571938259893668e-01 |
-5.571938259894033e-01 |
4.100000000000000e-14 |
3.641531520770513e-14 |
PASS |
| Energy [step 5] |
-5.157327347418249e-01 |
-5.157327347418467e-01 |
4.100000000000000e-14 |
2.176037128265307e-14 |
PASS |
| Energy [step 10] |
-5.157327347416988e-01 |
-5.157327347416979e-01 |
4.100000000000000e-14 |
-8.881784197001252e-16 |
PASS |
| Energy [step 15] |
-5.157327347416446e-01 |
-5.157327347416570e-01 |
4.100000000000000e-14 |
1.243449787580175e-14 |
PASS |
| Energy [step 20] |
-5.157327347416730e-01 |
-5.157327347416979e-01 |
4.100000000000000e-14 |
2.486899575160351e-14 |
PASS |
| Dipole [step 1] |
2.888045698586344e-15 |
0.000000000000000e+00 |
4.100000000000000e-14 |
2.888045698586344e-15 |
PASS |
| Dipole [step 5] |
-1.928247888208872e-01 |
-1.928247888208892e-01 |
4.100000000000000e-14 |
1.998401444325282e-15 |
PASS |
| Dipole [step 10] |
-3.545495747886633e-01 |
-3.545495747886674e-01 |
4.100000000000000e-14 |
4.052314039881821e-15 |
PASS |
| Dipole [step 15] |
-4.859689858458416e-01 |
-4.859689858458450e-01 |
4.100000000000000e-14 |
3.386180225106727e-15 |
PASS |
| Dipole [step 20] |
-6.087120870676863e-01 |
-6.087120870676892e-01 |
4.100000000000000e-14 |
2.886579864025407e-15 |
PASS |