Input 15-crank_nicolson.04-freeze_states.inp
Matches
Name |
Value |
Reference |
Precision |
Difference |
Status |
Energy [step 1] |
-1.022657179873564e+01 |
-1.022657179873567e+01 |
1.020000000000000e-13 |
3.375077994860476e-14 |
PASS |
Energy [step 5] |
-1.014067705119930e+01 |
-1.014067705119932e+01 |
1.010000000000000e-13 |
2.486899575160351e-14 |
PASS |
Energy [step 10] |
-1.013381790798761e+01 |
-1.013381790798763e+01 |
1.010000000000000e-13 |
1.953992523340276e-14 |
PASS |
Energy [step 15] |
-1.012563491015763e+01 |
-1.012563491015765e+01 |
1.010000000000000e-13 |
1.776356839400250e-14 |
PASS |
Energy [step 20] |
-1.011739812323844e+01 |
-1.011739812323845e+01 |
1.010000000000000e-13 |
7.105427357601002e-15 |
PASS |
Dipole [step 1] |
2.820971422765311e-15 |
-1.039108394869460e-15 |
5.830000000000000e-15 |
3.860079817634771e-15 |
PASS |
Dipole [step 5] |
-3.955586853259874e-01 |
-3.955586853259905e-01 |
6.110000000000000e-15 |
3.108624468950438e-15 |
PASS |
Dipole [step 10] |
-7.406750729061501e-01 |
-7.406750729061549e-01 |
7.410000000000000e-15 |
4.773959005888173e-15 |
PASS |
Dipole [step 15] |
-1.039084057464592e+00 |
-1.039084057464601e+00 |
1.140000000000000e-14 |
8.659739592076221e-15 |
PASS |
Dipole [step 20] |
-1.295829936532781e+00 |
-1.295829936532780e+00 |
1.300000000000000e-14 |
-8.881784197001252e-16 |
PASS |