Input 01-propagators.06-aetrs.inp
Matches
Name |
Value |
Reference |
Precision |
Difference |
Status |
Energy [step 0] |
-1.060686608766761e+01 |
-1.060686608766762e+01 |
1.060000000000000e-13 |
1.243449787580175e-14 |
PASS |
Energy [step 20] |
-1.060637353666413e+01 |
-1.060637353666412e+01 |
1.060000000000000e-13 |
-1.421085471520200e-14 |
PASS |
Multipoles [step 0] |
2.665466236400835e-15 |
5.879834888021430e-16 |
4.510000000000000e-15 |
2.077482747598692e-15 |
PASS |
Multipoles [step 20] |
-1.265509663990655e-01 |
-1.265509663990618e-01 |
5.590000000000000e-15 |
-3.747002708109903e-15 |
PASS |
Forces [step 0] |
8.537673799432488e-02 |
8.537673799433354e-02 |
1.250000000000000e-14 |
-8.659739592076221e-15 |
PASS |
Forces [step 20] |
7.966840852244061e-02 |
7.966840852244794e-02 |
8.059999999999999e-15 |
-7.327471962526033e-15 |
PASS |