Match x (O) (t=200 au)
Commits >
Commit dbbd967b788cdda4a2df74a46ac2e5066a09d99b >
Run foss_cmake: [foss2023a-mpi, foss-full-mpi] >
Input 10-dftbplus_verlet.01-water.inp
| Value | Reference | Precision | Status |
| -1.439672294462581e-18 | 5.029474818285000e-15 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/coordinates, -1, 3)