Input 14-center-geom.01-run.inp
Commits >
Commit 0a2b0bf36feedeffb58bf70ad5882092a0f43b8a >
Run foss_cmake: [foss2022a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Coordinate 1 x | -1.106580000000000e+00 | -1.106580000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Coordinate 1 y | 7.521380000000000e-01 | 7.521380000000000e-01 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Coordinate 1 z | -7.485240000000000e-01 | -7.485240000000000e-01 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Coordinate 15 x | 5.291709999999999e-01 | 5.291709999999999e-01 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Coordinate 15 y | 2.154103000000000e+00 | 2.154103000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Coordinate 15 z | -1.419700000000000e-02 | -1.419700000000000e-02 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |