Match z (O) (t=200 au)
Commits >
Commit 096a6aa79c0530be40cfd22d4634722b8e5e1938 >
Run intel-2022b >
Input 10-dftbplus_verlet.01-water.inp
Value | Reference | Precision | Status |
-3.468238009257208e-01 | -3.468238009257000e-01 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/coordinates, -1, 5)