Match y (O) (t=200 au)
Commits >
Commit f72050fe95608e153e1887ef05d1ad42dc082fde >
Run foss-serial-full: [foss2023b-serial] >
Input 10-dftbplus_verlet.01-water.inp
Value | Reference | Precision | Status |
-8.897112984625568e-18 | -9.292331809823001e-18 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/coordinates, -1, 4)