Input 02-propagators.02-cnsparskit.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Forces [step 1] |
8.537673799433643e-02 |
8.537673799433354e-02 |
1.250000000000000e-14 |
2.886579864025407e-15 |
PASS |
| Forces [step 20] |
7.964959635257340e-02 |
7.964959635257580e-02 |
7.040000000000000e-15 |
-2.400857290751901e-15 |
PASS |
| Energy [step 1] |
-1.060686608766760e+01 |
-1.060686608766762e+01 |
1.060000000000000e-13 |
1.776356839400250e-14 |
PASS |
| Energy [step 20] |
-1.060637261154881e+01 |
-1.060637261154880e+01 |
1.060000000000000e-13 |
-8.881784197001252e-15 |
PASS |
| Multipoles [step 1] |
4.267685692143329e-15 |
1.824331091466839e-16 |
4.490000000000000e-15 |
4.085252582996645e-15 |
PASS |
| Multipoles [step 20] |
-1.265304528942159e-01 |
-1.265304528942171e-01 |
6.810000000000000e-15 |
1.221245327087672e-15 |
PASS |