Match x (O) (t=200 au)
Commits >
Commit d48128afc066bfe2b1bb5979f9ee62249e46c834 >
Run spack_foss-2023a_serial >
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)