Input 02-propagators.02-cnsparskit.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Forces [step 1] |
8.537673799434353e-02 |
8.537673799434686e-02 |
2.170000000000000e-14 |
-3.330669073875470e-15 |
PASS |
| Forces [step 20] |
7.964959635258850e-02 |
7.964959635258606e-02 |
1.730000000000000e-14 |
2.442490654175344e-15 |
PASS |
| Energy [step 1] |
-1.060686608766758e+01 |
-1.060686608766762e+01 |
1.060000000000000e-13 |
4.263256414560601e-14 |
PASS |
| Energy [step 20] |
-1.060637261154879e+01 |
-1.060637261154880e+01 |
1.060000000000000e-13 |
1.243449787580175e-14 |
PASS |
| Multipoles [step 1] |
2.750317185909630e-15 |
5.879834888021430e-16 |
4.510000000000000e-15 |
2.162333697107487e-15 |
PASS |
| Multipoles [step 20] |
-1.265304528942107e-01 |
-1.265304528942126e-01 |
1.210000000000000e-14 |
1.942890293094024e-15 |
PASS |