Match y (H) (t=200 au)
Commits >
Commit dd0acda4415b0ab64c529ca4a26922f9782edb94 >
Run cmake_foss_2022a_full_mpi >
Input 10-dftbplus_verlet.01-water.inp
| Value | Reference | Precision | Status |
| 1.530480779437531e-16 | 6.025029371038001e-17 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/coordinates, -1, 7)