Input 15-crank_nicolson.04-freeze_states.inp
Matches
Name |
Value |
Reference |
Precision |
Difference |
Status |
Energy [step 1] |
-1.022654035874429e+01 |
-1.022654035874430e+01 |
5.110000000000000e-13 |
5.329070518200751e-15 |
PASS |
Energy [step 5] |
-1.014064572817562e+01 |
-1.014064572817560e+01 |
5.070000000000000e-14 |
-2.309263891220326e-14 |
PASS |
Energy [step 10] |
-1.013378662931816e+01 |
-1.013378662931820e+01 |
5.070000000000000e-13 |
3.552713678800501e-14 |
PASS |
Energy [step 15] |
-1.012560361793024e+01 |
-1.012560361792900e+01 |
5.060000000000000e-12 |
-1.236344360222574e-12 |
PASS |
Energy [step 20] |
-1.011736675688521e+01 |
-1.011736675688520e+01 |
5.060000000000000e-13 |
-1.421085471520200e-14 |
PASS |
Dipole [step 1] |
-1.022489161210931e-15 |
-1.039108394869460e-15 |
5.830000000000000e-15 |
1.661923365852862e-17 |
PASS |
Dipole [step 5] |
-3.955589211257092e-01 |
-3.955589211257070e-01 |
1.980000000000000e-14 |
-2.164934898019055e-15 |
PASS |
Dipole [step 10] |
-7.406769413990214e-01 |
-7.406769413990340e-01 |
3.700000000000000e-14 |
1.254552017826427e-14 |
PASS |
Dipole [step 15] |
-1.039087772402136e+00 |
-1.039087772402140e+00 |
5.200000000000000e-14 |
4.218847493575595e-15 |
PASS |
Dipole [step 20] |
-1.295835165527725e+00 |
-1.295835165527720e+00 |
6.480000000000000e-14 |
-4.884981308350689e-15 |
PASS |