Match Fx (O) (t=200 au)
Commits >
Commit b1773e3237a9e3fe1d68ecd7146c17ebbd95a961 >
Run spack_foss-2023a_serial_omp >
Input 10-dftbplus_verlet.01-water.inp
Value | Reference | Precision | Status |
-4.163336342344337e-17 | 5.599062880002000e-13 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/forces, -1, 3)