Match x (H) (t=200 au)
Commits >
Commit 995bec41f97239ed4859b75e5397558b96cd16ab >
Run cmake_foss_2022a_full_mpi >
Input 10-dftbplus_verlet.01-water.inp
| Value | Reference | Precision | Status |
| -1.447837823412274e+00 | -1.447837823412000e+00 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/coordinates, -1, 9)