Input 23-go-na2.04-fire_restart.inp
Matches
| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Total energy |
-4.177745300000000e-01 |
-4.177745000000000e-01 |
2.090000000000000e-07 |
-2.999999998420932e-08 |
PASS |
| Force [1] |
4.960734700000001e-04 |
4.960720165000000e-04 |
1.600000000000000e-09 |
1.453500000046792e-09 |
PASS |
| Force [2] |
-4.960734700000001e-04 |
-4.960720165000000e-04 |
1.600000000000000e-09 |
-1.453500000046792e-09 |
PASS |
| Geometry [1] |
-1.475345000000000e+00 |
-1.475345000000000e+00 |
7.380000000000000e-06 |
2.220446049250313e-16 |
PASS |
| Geometry [2] |
1.475345000000000e+00 |
1.475345500000000e+00 |
5.500000000000000e-07 |
-5.000000000698890e-07 |
PASS |