Match y (H) (t=200 au)
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
Run foss_ppc_autotools: [foss2022a-serial] >
Input 10-dftbplus_verlet.01-water.inp
Value | Reference | Precision | Status |
-2.968593140018426e-16 | 6.025029371038001e-17 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/coordinates, -1, 7)