Match y (H) (t=200 au)
Commits >
Commit 968a3ff7080ffa1f89f08d37efc7416527769dec >
Run intel_autotools: [intel2023a-serial] >
Input 10-dftbplus_verlet.01-water.inp
| Value | Reference | Precision | Status |
| 4.114809919866403e-17 | 6.025029371038001e-17 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/coordinates, -1, 7)