Match Fy (H) (t=200 au)
Commits >
Commit 58dcf5562fbb52d037ca78866f8fd352b3754746 >
Run intel-2022b >
Input 10-dftbplus_verlet.01-water.inp
Value | Reference | Precision | Status |
2.061509713657518e-16 | 5.219451523246000e-17 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/forces, -1, 7)