Input 02-propagators.02-cnsparskit.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Forces [step 1] |
8.537673799433065e-02 |
8.537673799433354e-02 |
1.250000000000000e-14 |
-2.886579864025407e-15 |
PASS |
| Forces [step 20] |
7.964959635257562e-02 |
7.964959635257580e-02 |
7.040000000000000e-15 |
-1.804112415015879e-16 |
PASS |
| Energy [step 1] |
-1.060686608766758e+01 |
-1.060686608766762e+01 |
1.060000000000000e-13 |
4.263256414560601e-14 |
PASS |
| Energy [step 20] |
-1.060637261154879e+01 |
-1.060637261154880e+01 |
1.060000000000000e-13 |
1.243449787580175e-14 |
PASS |
| Multipoles [step 1] |
2.750317185909630e-15 |
5.879834888021430e-16 |
4.510000000000000e-15 |
2.162333697107487e-15 |
PASS |
| Multipoles [step 20] |
-1.265304528942132e-01 |
-1.265304528942195e-01 |
6.870000000000000e-15 |
6.272760089132134e-15 |
PASS |