Example: Grid key for plotting results
**************************************

"Download GridKey.run"

   #!/bin/sh

   SYSTEM=$AMSHOME/atomicdata/Molecules/TestMols/Methane.xyz

   # Initial run

   AMS_JOBNAME=methane $AMSBIN/ams <<eor

   Task SinglePoint 

   System
     GeometryFile $SYSTEM
   End

   Engine Band 
     Basis
       Type TZP
     End
   EndEngine
   eor


   # Use the grid

   AMS_JOBNAME=auto_grid $AMSBIN/ams <<eor

   Task SinglePoint 

   System
     GeometryFile $SYSTEM
   End

   Engine Band 
     Restart 
       File methane.results/band.rkf
       DensityPlot
     End

     Grid
      Type Coarse
      ExtendX 21.1671 [Angstrom]
     End

     DensityPlot
       rho(fit)
     End

     Basis
       Type TZP
     End
   EndEngine
   eor



   echo ""
   echo "Begin TOC of tape41"

   $AMSBIN/dmpkf -n 1 auto_grid.results/TAPE41 --toc

   echo "End TOC of tape41"



   # Use a completely user specified regular grid

   AMS_JOBNAME=user_grid $AMSBIN/ams <<eor

   Task SinglePoint 

   System
     GeometryFile $SYSTEM
   End

   Engine Band 
     Restart 
       File methane.results/band.rkf
       DensityPlot
     End

     Grid
       UserDefined  # in Bohr
         -2.0 -1.3 -2.5 
         1.0 0.0 0.0 0.02
         0 1 0.0 0.02
         0.0 0.0 1.0 0.02
         20 30 40
       End
     End

     DensityPlot
       rho(fit)
     End

     Basis
       Type TZP
     End
   EndEngine
   eor

   echo ""
   echo "Begin TOC of tape41"

   $AMSBIN/dmpkf -n 1 user_grid.results/TAPE41 --toc

   echo "End TOC of tape41"


   # Use a text file to import the (arbitrary grid in Bohr)

   cat << eor > coords.txt
   -3.0 0.0 0.0
   -2.0 0.1 0.0
    0.0 0.2 0.0
   eor

   AMS_JOBNAME=file_grid $AMSBIN/ams <<eor

   Task SinglePoint 

   System
     GeometryFile $SYSTEM
   End

   Engine Band 
     Restart 
       File methane.results/band.rkf
       DensityPlot
       vtkFile result.txt
     End

     Grid
       Filename coords.txt
     End

     DensityPlot
       rho(fit)
     End

     Basis
       Type TZP
     End
   EndEngine

   eor

   echo ""
   echo "Begin of result.txt"
   cat result.txt
   echo "End of result.txt"




   AMS_JOBNAME=generate_cube $AMSBIN/ams <<eor

   Task SinglePoint 

   System
     GeometryFile $SYSTEM
   End

   Engine Band 
     Restart 
       File methane.results/band.rkf
       DensityPlot
       vtkFile CUBE
     End

     Grid
     Type Coarse
     End

     DensityPlot
       rho(fit)
     End

     Basis
       Type TZP
     End
   EndEngine

   eor

   echo ""
   echo "Begin of cube files"
   cat rho*.cube
   echo "End of cube files"

   AMS_JOBNAME=generate_cube_with_name $AMSBIN/ams <<eor

   Task SinglePoint 

   System
     GeometryFile $SYSTEM
   End

   Engine Band 
     Restart 
       File methane.results/band.rkf
       DensityPlot
       vtkFile densf.cube
     End

     Grid
     Type Coarse
     End

     DensityPlot
       rho(fit)
     End

     Basis
       Type TZP
     End
   EndEngine

   eor

   echo ""
   echo "Begin of named cube files"
   cat densf*.cube
   echo "End of named cube files"


   # Use a completely user specified regular grid, now in angstrom

   AMS_JOBNAME=user_grid_angstrom $AMSBIN/ams <<eor

   Task SinglePoint 

   System
     GeometryFile $SYSTEM
   End

   Engine Band 
     Restart 
       File methane.results/band.rkf
       DensityPlot
     End

     Grid
       UserDefined  [Angstrom]
         -2.0 -1.3 -2.5 
         1.0 0.0 0.0 0.02
         0 1 0.0 0.02
         0.0 0.0 1.0 0.02
         20 30 40
       End
     End

     DensityPlot
       rho(fit)
     End

     Basis
       Type TZP
     End
   EndEngine
   eor

   echo ""
   echo "Begin TOC of tape41"

   $AMSBIN/dmpkf -n 1 user_grid.results/TAPE41 --toc

   echo "End TOC of tape41"
