Input 15-crank_nicolson.04-freeze_states.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.022657179873567e+01 |
-1.022657179873567e+01 |
1.020000000000000e-13 |
3.552713678800501e-15 |
PASS |
| Energy [step 5] |
-1.014067705119929e+01 |
-1.014067705119932e+01 |
1.010000000000000e-13 |
2.664535259100376e-14 |
PASS |
| Energy [step 10] |
-1.013381790798761e+01 |
-1.013381790798763e+01 |
1.010000000000000e-13 |
1.953992523340276e-14 |
PASS |
| Energy [step 15] |
-1.012563491015762e+01 |
-1.012563491015765e+01 |
1.010000000000000e-13 |
2.664535259100376e-14 |
PASS |
| Energy [step 20] |
-1.011739812323845e+01 |
-1.011739812323845e+01 |
1.010000000000000e-13 |
1.776356839400250e-15 |
PASS |
| Dipole [step 1] |
5.979279571466379e-15 |
-1.039108394869460e-15 |
5.830000000000000e-15 |
7.018387966335839e-15 |
FAIL |
| Dipole [step 5] |
-3.955586853259829e-01 |
-3.955586853259905e-01 |
6.110000000000000e-15 |
7.605027718682322e-15 |
FAIL |
| Dipole [step 10] |
-7.406750729061458e-01 |
-7.406750729061549e-01 |
7.410000000000000e-15 |
9.103828801926284e-15 |
FAIL |
| Dipole [step 15] |
-1.039084057464602e+00 |
-1.039084057464601e+00 |
1.140000000000000e-14 |
-1.110223024625157e-15 |
PASS |
| Dipole [step 20] |
-1.295829936532778e+00 |
-1.295829936532780e+00 |
1.300000000000000e-14 |
1.998401444325282e-15 |
PASS |