Match Fy (O) (t=200 au)
Commits >
Commit 995bec41f97239ed4859b75e5397558b96cd16ab >
Run spack_foss-2022a_ppc >
Input 10-dftbplus_verlet.01-water.inp
Value | Reference | Precision | Status |
6.834954152972877e-17 | -1.115290118012000e-16 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/forces, -1, 4)