Match Fx (H) (t=200 au)
Commits >
Commit cbc1abc06e6e7cc5a3148786399a656e257098a6 >
Run spack_intel-2023a_serial_omp >
Input 10-dftbplus_verlet.01-water.inp
Value | Reference | Precision | Status |
-8.710019608359182e-03 | -8.710019608717000e-03 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/forces, -1, 9)