Match x (O) (t=200 au)
Commits >
Commit b5af8743e2ea06a4f564dab9b293c80c368f10c2 >
Run foss-cmake-zen4: [foss2023a-mpi, ci-foss-full-mpi] >
Input 10-dftbplus_verlet.01-water.inp
| Value | Reference | Precision | Status |
| 2.998511406110543e-16 | 5.029474818285000e-15 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/coordinates, -1, 3)