Match y (H) (t=200 au)
Commits >
Commit 6e9e1a4536d8fe2a292bd24d601ed608cb4be1e6 >
Run foss-cmake-zen4: [foss2023a-serial, foss-full] >
Input 10-dftbplus_verlet.01-water.inp
| Value | Reference | Precision | Status |
| 1.058632975717892e-16 | 8.726150915050000e-17 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/coordinates, -1, 10)