Match Fx (H) (t=200 au)
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run foss_omp_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)