Match Fy (O) (t=200 au)
Commits >
Commit 3186a8a51be7ad5a27ccff6e8e2901df0a16a559 >
Run GCI_foss-cmake: [foss2022a-mpi, foss-full-mpi] >
Input 10-dftbplus_verlet.01-water.inp
Value | Reference | Precision | Status |
1.303200149267558e-16 | -1.115290118012000e-16 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/forces, -1, 4)