Match y (H) (t=200 au)
Commits >
Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 >
Run intel-2022a >
Input 10-dftbplus_verlet.01-water.inp
Value | Reference | Precision | Status |
4.114809919866403e-17 | 6.025029371038001e-17 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/coordinates, -1, 7)