Match Fx (H) (t=200 au)
Commits >
Commit adf3952efd5c2bdc0cc9389163d26498c92cbe64 >
Run intel_autotools: [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)