Match z (H) (t=200 au)
Commits >
Commit e7de9bbf531ff65a0d18444fdbe173713a455724 >
Run foss-cmake-zen4: [foss2023a-serial, foss-full] >
Input 10-dftbplus_verlet.01-water.inp
Value | Reference | Precision | Status |
7.390503166188493e-01 | 7.390503166185000e-01 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/coordinates, -1, 8)