Match z (H) (t=200 au)
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run foss_autotools: [foss2023a-serial] >
Input 10-dftbplus_verlet.01-water.inp
Value | Reference | Precision | Status |
7.390503166186505e-01 | 7.390503166185000e-01 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/coordinates, -1, 11)