Match x (O) (t=200 au)
Commits >
Commit b6caf805fea115365f1246dd8a44b3bc3b7dd03a >
Run spack_intel-2022a_serial_omp >
Input 10-dftbplus_verlet.01-water.inp
| Value | Reference | Precision | Status |
| -4.733597774662083e-18 | 5.029474818285000e-15 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/coordinates, -1, 3)