Match z (O) (t=200 au)
Commits >
Commit db5a37a45dcf968be97880dd1f5766f32ce63f3a >
Run cuda-serial: [foss2022a-cuda-mpi] >
Input 10-dftbplus_verlet.01-water.inp
| Value | Reference | Precision | Status |
| -3.468238009257402e-01 | -3.468238009257000e-01 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/coordinates, -1, 5)