Match y (H) (t=200 au)
Commits >
Commit bb686499811dbfe67b92ca3aeb5b2659998636fa >
Run spack_foss-2022a_ppc >
Input 10-dftbplus_verlet.01-water.inp
Value | Reference | Precision | Status |
-2.968593140018426e-16 | 6.025029371038001e-17 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/coordinates, -1, 7)