Match y (H) (t=200 au)
Commits >
Commit 16a288d93f4684890591c6dab8ffeadb82c84e9a >
Run foss_autotools: [foss2023b-serial] >
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)