Match z (H) (t=200 au)
Commits >
Commit f2d849ada5a655d1f6759e4d19e0c812b266e6fc >
Run spack_intel-2022a_serial_omp >
Input 10-dftbplus_verlet.01-water.inp
Value | Reference | Precision | Status |
7.390503166185282e-01 | 7.390503166185000e-01 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/coordinates, -1, 11)