Match y (H) (t=200 au)
Commits >
Commit 9972eae3cc35bad71f44bb929051f5e204f853a2 >
Run cuda-serial: [foss2022a-cuda-mpi] >
Input 10-dftbplus_verlet.01-water.inp
| Value | Reference | Precision | Status |
| 1.506134497285998e-16 | 6.025029371038001e-17 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/coordinates, -1, 7)