Match x (H) (t=200 au)
Commits >
Commit 6fea4ae0129736a1dfe4fc8183ca68b9f7403b45 >
Run cuda-serial: [foss2022a-cuda-mpi] >
Input 10-dftbplus_verlet.01-water.inp
| Value | Reference | Precision | Status |
| 1.447837823412023e+00 | 1.447837823412000e+00 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/coordinates, -1, 6)