Match Fy (H) (t=200 au)
Commits >
Commit 0b4356d4fa228266301da10567cd10de2d19abc0 >
Run intel-2022b >
Input 10-dftbplus_verlet.01-water.inp
Value | Reference | Precision | Status |
4.596215674335031e-17 | 5.933449656873000e-17 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/forces, -1, 10)