Input 23-go-na2.03-fire.inp
Commits >
Commit 3d047708c1ab8d71894fb240c9b3cff2ecebd198 >
Run foss_cmake: [foss2022a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Total energy | -4.170733000000000e-01 | -4.170733000000000e-01 | 2.090000000000000e-06 | 0.000000000000000e+00 | PASS |
| Force [1] | 3.690060130000000e-03 | 3.690060130000000e-03 | 1.850000000000000e-10 | 0.000000000000000e+00 | PASS |
| Force [2] | -3.690060130000000e-03 | -3.690060130000000e-03 | 1.850000000000000e-10 | 0.000000000000000e+00 | PASS |
| Geometry [1] | -1.560549000000000e+00 | -1.560549000000000e+00 | 7.800000000000000e-06 | 0.000000000000000e+00 | PASS |
| Geometry [2] | 1.560549000000000e+00 | 1.560549000000000e+00 | 7.800000000000000e-06 | 0.000000000000000e+00 | PASS |