Match Fy (H) (t=200 au)
Commits >
Commit e5fcdd4b6e483a88fb99eafb58d1df80750fbe8c >
Run spack_foss-2022a_serial_omp >
Input 10-dftbplus_verlet.01-water.inp
Value | Reference | Precision | Status |
5.879116985144726e-17 | 5.933449656873000e-17 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/forces, -1, 10)