Input 01-propagators.06-aetrs.inp
Matches
Name |
Value |
Reference |
Precision |
Difference |
Status |
Energy [step 0] |
-1.060684240205382e+01 |
-1.060684240205380e+01 |
5.300000000000000e-14 |
-2.131628207280301e-14 |
PASS |
Energy [step 20] |
-1.060634982716840e+01 |
-1.060634982716840e+01 |
5.300000000000000e-13 |
-5.329070518200751e-15 |
PASS |
Multipoles [step 0] |
2.566881826722173e-15 |
2.282730401188460e-15 |
4.670000000000000e-15 |
2.841514255337135e-16 |
PASS |
Multipoles [step 20] |
-1.265513823243639e-01 |
-1.265513823243620e-01 |
6.330000000000000e-15 |
-1.859623566247137e-15 |
PASS |
Forces [step 0] |
8.537491810749165e-02 |
8.537491810749601e-02 |
8.799999999999999e-15 |
-4.357625371653739e-15 |
PASS |
Forces [step 20] |
7.966699321588111e-02 |
7.966699321588180e-02 |
4.000000000000000e-14 |
-6.938893903907228e-16 |
PASS |