Match Fx (H) (t=200 au)
Commits >
Commit 85779d3dd9ec6e18544835020e079bae8c405b87 >
Run spack_foss-2022a_cuda_serial >
Input 10-dftbplus_verlet.01-water.inp
| Value | Reference | Precision | Status |
| 8.710019608525937e-03 | 8.710019608157000e-03 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/forces, -1, 6)