Match Fz (H) (t=200 au)
Commits >
Commit 49118372ba86b967cc9f5fccbbf24835f53b10d7 >
Run spack_foss-2022a_cuda_serial >
Input 10-dftbplus_verlet.01-water.inp
Value | Reference | Precision | Status |
4.530246916765457e-03 | 4.530246916387000e-03 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/forces, -1, 11)