Input 02-propagators.02-cnsparskit.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Forces [step 1] |
8.537673799432932e-02 |
8.537673799433354e-02 |
1.250000000000000e-14 |
-4.218847493575595e-15 |
PASS |
| Forces [step 20] |
7.964959635257118e-02 |
7.964959635257580e-02 |
7.040000000000000e-15 |
-4.621303340002214e-15 |
PASS |
| Energy [step 1] |
-1.060686608766761e+01 |
-1.060686608766762e+01 |
1.060000000000000e-13 |
1.065814103640150e-14 |
PASS |
| Energy [step 20] |
-1.060637261154880e+01 |
-1.060637261154880e+01 |
1.060000000000000e-13 |
3.552713678800501e-15 |
PASS |
| Multipoles [step 1] |
-5.894854916699277e-16 |
5.879834888021430e-16 |
4.510000000000000e-15 |
-1.177468980472071e-15 |
PASS |
| Multipoles [step 20] |
-1.265304528942245e-01 |
-1.265304528942195e-01 |
6.870000000000000e-15 |
-4.996003610813204e-15 |
PASS |