Match y (H) (t=200 au)
Commits >
Commit 6186e1f92bb6a84e4a2e679736ea9db4d0c9eca5 >
Run spack_intel-2022a_serial_omp >
Input 10-dftbplus_verlet.01-water.inp
Value | Reference | Precision | Status |
1.142948458521940e-16 | 8.726150915050000e-17 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/coordinates, -1, 10)