Input 15-crank_nicolson.05-freeze_sae.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-5.571938259893704e-01 |
-5.571938259894033e-01 |
4.010000000000000e-14 |
3.286260152890463e-14 |
PASS |
| Energy [step 5] |
-5.157327347418498e-01 |
-5.157327347418467e-01 |
2.780000000000000e-14 |
-3.108624468950438e-15 |
PASS |
| Energy [step 10] |
-5.157327347417103e-01 |
-5.157327347416979e-01 |
3.030000000000000e-14 |
-1.243449787580175e-14 |
PASS |
| Energy [step 15] |
-5.157327347416419e-01 |
-5.157327347416570e-01 |
1.950000000000000e-14 |
1.509903313490213e-14 |
PASS |
| Energy [step 20] |
-5.157327347416926e-01 |
-5.157327347416979e-01 |
4.100000000000000e-14 |
5.329070518200751e-15 |
PASS |
| Dipole [step 1] |
-4.892918101934151e-15 |
-7.379220068245151e-16 |
5.560000000000000e-15 |
-4.154996095109636e-15 |
PASS |
| Dipole [step 5] |
-1.928247888208939e-01 |
-1.928247888208892e-01 |
4.590000000000000e-15 |
-4.690692279041286e-15 |
FAIL |
| Dipole [step 10] |
-3.545495747886723e-01 |
-3.545495747886674e-01 |
4.430000000000000e-15 |
-4.940492459581947e-15 |
FAIL |
| Dipole [step 15] |
-4.859689858458505e-01 |
-4.859689858458450e-01 |
2.430000000000000e-14 |
-5.440092820663267e-15 |
PASS |
| Dipole [step 20] |
-6.087120870676948e-01 |
-6.087120870676892e-01 |
6.960000000000000e-15 |
-5.551115123125783e-15 |
PASS |