例子如下：

#!/bin/sh

"$ADFBIN/adf" <<eor
    Atoms
    1 O      -1.819474496666      -4.133718374004      -0.000000000000    
    2 H      -1.743577349676      -3.216826942451      -0.274134503162    
    3 H      -2.047165937635      -4.676631146780      -0.758289080012    
    End
    Basis
        Type DZ
        Core Large
        CreateOutput None
    End
    GUIBonds
        1 2 1 1.0
        2 3 1 1.0
    End
    NoPrint LOGFILE
    Geometry
       LinearTransit 10
       Constraints PartialConverge
    End
    Symmetry NOSYM
    Constraints
       Dist 3 1 Start=0.9 End=1.5
       Angle 2 1 3 Start=109 End=178
    End

eor

其中

• LinearTransit 10指扫描10个点
• Dist 3 1 Start=0.9 End=1.5指3号原子与1号原子间距从0.9扫描到1.5
• Angle 2 1 3 Start=109 End=178指键角2-1-3从109°扫描到178°
• 两个条件同步扫描