Match Fy (O) (t=200 au)
Commits >
Commit e0b7240ece6c1278a2610f2d337090ca4d2c526d >
Run spack_foss-2023a_serial_opt >
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)