Match Fy (H) (t=200 au)
Commits >
Commit 1bf2bc61d0085049d6bd7294e2825d85d95584e0 >
Run foss-cmake-zen4: [foss2023a-serial, foss-full] >
Input 10-dftbplus_verlet.01-water.inp
Value | Reference | Precision | Status |
3.928640029533699e-18 | 5.933449656873000e-17 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/forces, -1, 10)