Input 15-crank_nicolson.04-freeze_states.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.022657179873566e+01 |
-1.022657179873567e+01 |
1.020000000000000e-13 |
8.881784197001252e-15 |
PASS |
| Energy [step 5] |
-1.014067705119930e+01 |
-1.014067705119932e+01 |
1.010000000000000e-13 |
2.131628207280301e-14 |
PASS |
| Energy [step 10] |
-1.013381790798762e+01 |
-1.013381790798763e+01 |
1.010000000000000e-13 |
1.243449787580175e-14 |
PASS |
| Energy [step 15] |
-1.012563491015762e+01 |
-1.012563491015765e+01 |
1.010000000000000e-13 |
3.375077994860476e-14 |
PASS |
| Energy [step 20] |
-1.011739812323843e+01 |
-1.011739812323845e+01 |
1.010000000000000e-13 |
2.131628207280301e-14 |
PASS |
| Dipole [step 1] |
-6.283168429987995e-15 |
-1.039108394869460e-15 |
5.830000000000000e-15 |
-5.244060035118535e-15 |
PASS |
| Dipole [step 5] |
-3.955586853259958e-01 |
-3.955586853259905e-01 |
6.110000000000000e-15 |
-5.329070518200751e-15 |
PASS |
| Dipole [step 10] |
-7.406750729061585e-01 |
-7.406750729061549e-01 |
7.410000000000000e-15 |
-3.663735981263017e-15 |
PASS |
| Dipole [step 15] |
-1.039084057464614e+00 |
-1.039084057464601e+00 |
1.140000000000000e-14 |
-1.287858708565182e-14 |
FAIL |
| Dipole [step 20] |
-1.295829936532791e+00 |
-1.295829936532780e+00 |
1.300000000000000e-14 |
-1.088018564132653e-14 |
PASS |