Match Fx (O) (t=200 au)
Commits >
Commit fa579c158b779976d5f0fa5d04f6d011c21f022f >
Run cmake_foss_2022a_full_mpi >
Input 10-dftbplus_verlet.01-water.inp
| Value | Reference | Precision | Status |
| -4.163336342344337e-17 | 5.599062880002000e-13 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/forces, -1, 3)