Match Fx (H) (t=200 au)
Commits >
Commit 567670ad21bfa0dcf9eec7f6790e7f8f129ccb1e >
Run intel-2022b >
Input 10-dftbplus_verlet.01-water.inp
Value | Reference | Precision | Status |
-8.710019607878122e-03 | -8.710019608717000e-03 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/forces, -1, 9)