Match Fx (H) (t=200 au)
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Run foss_opt_autotools: [foss2023a-serial] >
Input 10-dftbplus_verlet.01-water.inp
Value | Reference | Precision | Status |
-8.710019608307112e-03 | -8.710019608717000e-03 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/forces, -1, 9)