Input 15-crank_nicolson.04-freeze_states.inp
Matches
Name |
Value |
Reference |
Precision |
Difference |
Status |
Energy [step 1] |
-1.022657179873570e+01 |
-1.022657179873567e+01 |
1.020000000000000e-13 |
-2.664535259100376e-14 |
PASS |
Energy [step 5] |
-1.014067705119936e+01 |
-1.014067705119932e+01 |
1.010000000000000e-13 |
-3.907985046680551e-14 |
PASS |
Energy [step 10] |
-1.013381790798766e+01 |
-1.013381790798763e+01 |
1.010000000000000e-13 |
-2.664535259100376e-14 |
PASS |
Energy [step 15] |
-1.012563491015769e+01 |
-1.012563491015765e+01 |
1.010000000000000e-13 |
-3.552713678800501e-14 |
PASS |
Energy [step 20] |
-1.011739812323848e+01 |
-1.011739812323845e+01 |
1.010000000000000e-13 |
-3.019806626980426e-14 |
PASS |
Dipole [step 1] |
2.288510628559431e-15 |
-1.039108394869460e-15 |
5.830000000000000e-15 |
3.327619023428891e-15 |
PASS |
Dipole [step 5] |
-3.955586853259889e-01 |
-3.955586853259905e-01 |
6.110000000000000e-15 |
1.554312234475219e-15 |
PASS |
Dipole [step 10] |
-7.406750729061532e-01 |
-7.406750729061549e-01 |
7.410000000000000e-15 |
1.665334536937735e-15 |
PASS |
Dipole [step 15] |
-1.039084057464594e+00 |
-1.039084057464601e+00 |
1.140000000000000e-14 |
6.883382752675971e-15 |
PASS |
Dipole [step 20] |
-1.295829936532785e+00 |
-1.295829936532786e+00 |
1.300000000000000e-14 |
1.110223024625157e-15 |
PASS |