Match Fx (H) (t=200 au)
Commits >
Commit 7a2cd2a0801cf0c9aaf759ff5aac90b0fe91b5f6 >
Run spack_foss-2022a_ppc >
Input 10-dftbplus_verlet.01-water.inp
Value | Reference | Precision | Status |
-8.710019608221237e-03 | -8.710019608717000e-03 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/forces, -1, 9)