Example: (non-)Linear Transit: H2O
**********************************

"Download Transit_H2O.run"

   #! /bin/sh

   # AMS is capable of performing linear transits
   # Here multiple coordinate descriptors are combined.
   # This combines the individual coordinates into one compound coordinate,
   # i.e. all coordinates will transit together through their respective ranges. 

   $AMSBIN/ams <<eor
   System
     atoms
        O             0.000000     0.000000     0.000000
        H             0.000000    -0.689440    -0.578509
        H             0.000000     0.689440    -0.578509
     end
   end

   Task PESSCAN

   PESScan
      ScanCoordinate
         nPoints 4
         distance 1 2 0.8 1.5
         angle 2 1 3 100.0 120.0
      End
   End

   GeometryOptimization
      Convergence
         gradients 0.0001
      End
   End

   Engine ADF
     Basis
       Type DZP
     End
   EndEngine
   eor
