Match Fx (O) (t=200 au)
Commits >
Commit f72050fe95608e153e1887ef05d1ad42dc082fde >
Run foss-ppc: [foss2022a-serial] >
Input 10-dftbplus_verlet.01-water.inp
Value | Reference | Precision | Status |
5.657189633811774e-17 | 5.599062880002000e-13 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/forces, -1, 3)