Match Fy (H) (t=200 au)
Commits >
Commit babc485c55a2119a415aa56305cb49f398154cb7 >
Run spack_foss-2022a_serial >
Input 10-dftbplus_verlet.01-water.inp
Value | Reference | Precision | Status |
-1.644354260976919e-16 | 5.219451523246000e-17 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/forces, -1, 7)