Input 06-caetrs.02-kick.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.058495024056695e+01 |
-1.058495024056700e+01 |
5.290000000000000e-14 |
5.329070518200751e-14 |
FAIL |
| Energy [step 5] |
-1.042955032652507e+01 |
-1.042955032652510e+01 |
5.210000000000000e-13 |
2.486899575160351e-14 |
PASS |
| Energy [step 10] |
-1.042953043332984e+01 |
-1.042953043332980e+01 |
5.210000000000000e-13 |
-3.907985046680551e-14 |
PASS |
| Energy [step 15] |
-1.042951704575810e+01 |
-1.042951704575810e+01 |
5.210000000000000e-13 |
-3.552713678800501e-15 |
PASS |
| Energy [step 20] |
-1.042950992989120e+01 |
-1.042950992989120e+01 |
5.210000000000000e-14 |
0.000000000000000e+00 |
PASS |
| Dipole [step 1] |
2.684213142283963e-15 |
1.780638116610150e-16 |
6.600000000000000e-15 |
2.506149330622948e-15 |
PASS |
| Dipole [step 5] |
-7.296268646591284e-01 |
-7.296268646591400e-01 |
3.650000000000000e-14 |
1.154631945610163e-14 |
PASS |
| Dipole [step 10] |
-1.339614999322743e+00 |
-1.339614999322740e+00 |
1.100000000000000e-14 |
-2.664535259100376e-15 |
PASS |
| Dipole [step 15] |
-1.834337869774241e+00 |
-1.834337869774330e+00 |
9.170000000000000e-14 |
8.859579736508749e-14 |
PASS |
| Dipole [step 20] |
-2.215787801056110e+00 |
-2.215787801056110e+00 |
1.110000000000000e-14 |
0.000000000000000e+00 |
PASS |