Input 01-propagators.03-etrs_taylor.inp
Matches
Name |
Value |
Reference |
Precision |
Difference |
Status |
Energy [step 0] |
-1.060686608766763e+01 |
-1.060686608766762e+01 |
1.060000000000000e-13 |
-7.105427357601002e-15 |
PASS |
Energy [step 20] |
-1.060637205318230e+01 |
-1.060637205318229e+01 |
1.060000000000000e-13 |
-8.881784197001252e-15 |
PASS |
Multipoles [step 0] |
1.824339507586203e-15 |
5.879834888021430e-16 |
4.510000000000000e-15 |
1.236356018784060e-15 |
PASS |
Multipoles [step 20] |
-1.265536606512517e-01 |
-1.265536606512539e-01 |
4.510000000000000e-15 |
2.164934898019055e-15 |
PASS |
Forces [step 0] |
8.537673799433376e-02 |
8.537673799433354e-02 |
1.250000000000000e-14 |
2.220446049250313e-16 |
PASS |
Forces [step 20] |
7.966960326023331e-02 |
7.966960326023198e-02 |
5.860000000000000e-15 |
1.332267629550188e-15 |
PASS |