Match y (H) (t=200 au)
Commits >
Commit d3675615d01b7319f97a471d787a8168906684ed >
Run eb_foss-2022a >
Input 10-dftbplus_verlet.01-water.inp
Value | Reference | Precision | Status |
1.530480779437531e-16 | 6.025029371038001e-17 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/coordinates, -1, 7)