Match y (O) (t=200 au)
Commits >
Commit b2c9b4a951ad3e3faeb99c2d543d652f634c0371 >
Run intel-2022a >
Input 10-dftbplus_verlet.01-water.inp
Value | Reference | Precision | Status |
-9.791944745403741e-18 | -9.292331809823001e-18 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/coordinates, -1, 4)