Input 23-go-na2.01-steep.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Total energy |
-4.177305900000000e-01 |
-4.177305500000000e-01 |
2.090000000000000e-07 |
-4.000000003445692e-08 |
PASS |
| Force [1] |
-7.420513910000000e-04 |
-7.420727740000000e-04 |
2.350000000000000e-08 |
2.138299999999288e-08 |
PASS |
| Force [2] |
7.420513910000000e-04 |
7.420727740000000e-04 |
2.350000000000000e-08 |
-2.138299999999288e-08 |
PASS |
| Geometry [1] |
-1.449083000000000e+00 |
-1.449083000000000e+00 |
7.249999999999999e-08 |
0.000000000000000e+00 |
PASS |
| Geometry [2] |
1.449083000000000e+00 |
1.449083000000000e+00 |
7.249999999999999e-08 |
0.000000000000000e+00 |
PASS |