Match y (H) (t=200 au)
Commits >
Commit 6186e1f92bb6a84e4a2e679736ea9db4d0c9eca5 >
Run spack_intel-2023a_serial >
Input 10-dftbplus_verlet.01-water.inp
Value | Reference | Precision | Status |
4.114809919866403e-17 | 6.025029371038001e-17 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/coordinates, -1, 7)