Match Fx (H) (t=200 au)
Commits >
Commit eddb1a976bbe1f1b2f6bb64793dd776e6572a2b5 >
Run intel-serial: [intel2023a-serial] >
Input 10-dftbplus_verlet.01-water.inp
Value | Reference | Precision | Status |
8.710019608359237e-03 | 8.710019608157000e-03 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/forces, -1, 6)