Match Fz (O) (t=200 au)
Commits >
Commit af26893c7aa01c4d6db9b9440ccd945f9c92b2ee >
Run spack_foss-2023a_serial_opt >
Input 10-dftbplus_verlet.01-water.inp
Value | Reference | Precision | Status |
-9.060493832338840e-03 | -9.060493832761000e-03 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/forces, -1, 5)