Input 02-propagators.02-cnsparskit.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Forces [step 1] |
8.537673799433021e-02 |
8.537673799433354e-02 |
1.250000000000000e-14 |
-3.330669073875470e-15 |
PASS |
| Forces [step 20] |
7.964959635257474e-02 |
7.964959635257580e-02 |
7.040000000000000e-15 |
-1.068589661201713e-15 |
PASS |
| Energy [step 1] |
-1.060686608766757e+01 |
-1.060686608766762e+01 |
1.060000000000000e-13 |
4.973799150320701e-14 |
PASS |
| Energy [step 20] |
-1.060637261154878e+01 |
-1.060637261154880e+01 |
1.060000000000000e-13 |
1.953992523340276e-14 |
PASS |
| Multipoles [step 1] |
2.444877552363126e-15 |
1.824331091466839e-16 |
4.490000000000000e-15 |
2.262444443216442e-15 |
PASS |
| Multipoles [step 20] |
-1.265304528942132e-01 |
-1.265304528942171e-01 |
6.810000000000000e-15 |
3.941291737419306e-15 |
PASS |