Match z (H) (t=200 au)
Commits >
Commit b1773e3237a9e3fe1d68ecd7146c17ebbd95a961 >
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, 8)