Input 01-propagators.03-etrs_taylor.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 0] |
-1.060686608766762e+01 |
-1.060686608766762e+01 |
1.060000000000000e-13 |
3.552713678800501e-15 |
PASS |
| Energy [step 20] |
-1.060637205318228e+01 |
-1.060637205318229e+01 |
1.060000000000000e-13 |
7.105427357601002e-15 |
PASS |
| Multipoles [step 0] |
1.783070700366995e-15 |
1.824331091466839e-16 |
4.490000000000000e-15 |
1.600637591220311e-15 |
PASS |
| Multipoles [step 20] |
-1.265536606512508e-01 |
-1.265536606512522e-01 |
4.000000000000000e-15 |
1.443289932012704e-15 |
PASS |
| Forces [step 0] |
8.537673799433421e-02 |
8.537673799433354e-02 |
1.250000000000000e-14 |
6.661338147750939e-16 |
PASS |
| Forces [step 20] |
7.966960326023376e-02 |
7.966960326023464e-02 |
7.820000000000000e-15 |
-8.881784197001252e-16 |
PASS |