Match Fz (O) (t=200 au)
Commits >
Commit e2663e21d2b19b776c1ae6497ca3d74f14dbf310 >
Run eb_fosscuda-2022a >
Input 10-dftbplus_verlet.01-water.inp
Value | Reference | Precision | Status |
-9.060493832599686e-03 | -9.060493832761000e-03 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/forces, -1, 5)