Match z (O) (t=200 au)
Commits >
Commit adf3952efd5c2bdc0cc9389163d26498c92cbe64 >
Run foss-cmake-zen4: [foss2023a-serial, foss-full] >
Input 10-dftbplus_verlet.01-water.inp
Value | Reference | Precision | Status |
-3.468238009257402e-01 | -3.468238009257000e-01 | 1.000000000000000e-04 | PASS |
Command: LINEFIELD(dftbplus/td.general/coordinates, -1, 5)