Match y (O) (t=200 au)
Commits >
Commit b1773e3237a9e3fe1d68ecd7146c17ebbd95a961 >
Run GCI_foss_cuda_autotools: [foss2022a-cuda-mpi] >
Input 10-dftbplus_verlet.01-water.inp
Value | Reference | Precision | Status |
-1.615644979722046e-17 | -9.292331809823001e-18 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/coordinates, -1, 4)