Match Fy (O) (t=200 au)
Commits >
Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e >
Run GCI_foss_autotools: [foss2022a-serial] >
Input 10-dftbplus_verlet.01-water.inp
Value | Reference | Precision | Status |
1.303200149267558e-16 | -1.115290118012000e-16 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/forces, -1, 4)