Match Fy (H) (t=200 au)
Commits >
Commit 77b19a812457519ffe2e63888ffe5f5b10958dc8 >
Run intel-2022a_omp >
Input 10-dftbplus_verlet.01-water.inp
Value | Reference | Precision | Status |
5.481873625596164e-17 | 5.933449656873000e-17 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/forces, -1, 10)