Input 06-caetrs.02-kick.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 1] |
-1.056293727506791e+01 |
-1.056293727506791e+01 |
1.060000000000000e-13 |
-1.776356839400250e-15 |
PASS |
| Energy [step 5] |
-1.040745483159456e+01 |
-1.040745483159455e+01 |
1.040000000000000e-13 |
-1.243449787580175e-14 |
PASS |
| Energy [step 10] |
-1.040743417507012e+01 |
-1.040743417507012e+01 |
1.040000000000000e-13 |
5.329070518200751e-15 |
PASS |
| Energy [step 15] |
-1.040742113639586e+01 |
-1.040742113639586e+01 |
1.040000000000000e-13 |
0.000000000000000e+00 |
PASS |
| Energy [step 20] |
-1.040741451973632e+01 |
-1.040741451973633e+01 |
1.040000000000000e-13 |
7.105427357601002e-15 |
PASS |
| Dipole [step 1] |
5.417068161227279e-16 |
1.780638116610150e-16 |
6.600000000000000e-15 |
3.636430044617129e-16 |
PASS |
| Dipole [step 5] |
-7.295426719525291e-01 |
-7.295426719525250e-01 |
3.650000000000000e-14 |
-4.107825191113079e-15 |
PASS |
| Dipole [step 10] |
-1.337803863058584e+00 |
-1.337803863058600e+00 |
1.970000000000000e-14 |
1.643130076445232e-14 |
PASS |
| Dipole [step 15] |
-1.828601499014713e+00 |
-1.828601499014715e+00 |
1.830000000000000e-14 |
1.998401444325282e-15 |
PASS |
| Dipole [step 20] |
-2.205209055720851e+00 |
-2.205209055720854e+00 |
2.690000000000000e-14 |
3.552713678800501e-15 |
PASS |