Input 02-propagators.02-cnsparskit.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Forces [step 1] |
8.537673799433820e-02 |
8.537673799433354e-02 |
5.130000000000000e-15 |
4.662936703425657e-15 |
PASS |
| Forces [step 20] |
7.964959635257829e-02 |
7.964959635257580e-02 |
3.980000000000000e-15 |
2.484124017598788e-15 |
PASS |
| Energy [step 1] |
-1.060686608766761e+01 |
-1.060686608766762e+01 |
1.060000000000000e-13 |
5.329070518200751e-15 |
PASS |
| Energy [step 20] |
-1.060637261154880e+01 |
-1.060637261154880e+01 |
1.060000000000000e-13 |
0.000000000000000e+00 |
PASS |
| Multipoles [step 1] |
-3.902819473849961e-15 |
1.824331091466839e-16 |
4.490000000000000e-15 |
-4.085252582996645e-15 |
PASS |
| Multipoles [step 20] |
-1.265304528942178e-01 |
-1.265304528942171e-01 |
2.110000000000000e-15 |
-7.216449660063518e-16 |
PASS |