Match Fz (O) (t=200 au)
Commits >
Commit c18e6529b073b7f96582e125ea28d09e3ac5067c >
Run spack_foss-2022a_cuda_serial >
Input 10-dftbplus_verlet.01-water.inp
| Value | Reference | Precision | Status |
| -9.060493832886679e-03 | -9.060493832761000e-03 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/forces, -1, 5)