Match y (H) (t=200 au)
Commits >
Commit e2663e21d2b19b776c1ae6497ca3d74f14dbf310 >
Run foss-2022a_omp >
Input 10-dftbplus_verlet.01-water.inp
Value | Reference | Precision | Status |
-7.783543262852876e-18 | 6.025029371038001e-17 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/coordinates, -1, 7)