Match y (H) (t=200 au)
Commits >
Commit adf3952efd5c2bdc0cc9389163d26498c92cbe64 >
Run foss_cmake: [foss2023a-mpi, foss-full-mpi] >
Input 10-dftbplus_verlet.01-water.inp
| Value | Reference | Precision | Status |
| -1.181020531078158e-17 | 8.726150915050000e-17 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/coordinates, -1, 10)