Match y (H) (t=200 au)
Commits >
Commit c18e6529b073b7f96582e125ea28d09e3ac5067c >
Run spack_intel-2023a_serial_omp >
Input 10-dftbplus_verlet.01-water.inp
| Value | Reference | Precision | Status |
| 4.114809919866403e-17 | 6.025029371038001e-17 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/coordinates, -1, 7)