Révision 4 examples/Test/Cart/README

README (revision 4)
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So, first, you have to launch run_Paht.
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Then you can analyse it either using:
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**)  AnaPath (as usual)
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../../../utils/AnaPath HCN_cart.out 50 Path 12
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../../../utils/AnaPath HCN_cart.out
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**) Dep_tscan_p
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./Dep_tscan_p HCN_cart.out 50 Path PES
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../Dep_tscan_p HCN_cart.out  PES
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This will create a Path_p.gplot file that can be ran to visualizd the
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 evolution of the Path projected on the 2D PES (in green). The actual
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 IRC is also plotted in red.
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To go to the next iteration, you have to press a key.
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**) Dep_tscan_m


  		





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./Dep_tscan_m HCN_cart.out 50 Path PES


  		





  
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../Dep_tscan_m HCN_cart.out  PES


  		





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This will create a Path_m.gplot file that can be ran to visualizd the


  		





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 evolution of the Path projected on the 2D PES (in green). The actual


  		





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 IRC is also plotted in red, as with Dep_tscan_p.


  		





  ......




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To go to the next iteration, you have to press a key.


  		





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**) Dep_tscan_movie


  		





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./Dep_tscan_movie HCN_cart.out 50 Path PES


  		





  
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../Dep_tscan_movie HCN_cart.out  PES


  		





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This will create a Path_movie.gplot file that can be ran to visualizd the


  		





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 evolution of the Path projected on the 2D PES (in green). The actual


  		





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 IRC is also plotted in red, as with Dep_tscan_p.


  		












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