Revision 11 examples/Test/Dep_tscan_p

Dep_tscan_p (revision 11)
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 clear
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 set xrange [1.:2.5]
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 set yrange [-10:190]
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 plot "HCN_irc.dat" u 1:3 w l
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 plot "HCN_irc.dat" u 1:3 t "IRC" w l ls 1
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EOF
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 if [ "$PES" != "" ]; then
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  echo "replot \"HCN_PES_2D.dat\" u 1:2 w l 2, \"HCN_PES_2D.dat\" u 1:(-\$2) w l 2,\"HCN_PES_2D.dat\" u 1:(360-\$2) w l 2" >> $NomGplot
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  echo "replot \"HCN_PES_2D.dat\" u 1:2 t \"\" w l ls 2, \"HCN_PES_2D.dat\" u 1:(-\$2) t \"\" w l ls 2,\"HCN_PES_2D.dat\" u 1:(360-\$2) t \"\" w l ls 2" >> $NomGplot
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 fi
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 if [ "$Ext" = "_cart" ]; then
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   if [ -s ${Nom}_spline.${i} ]; then
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     echo "replot \"${Nom}_${i}.dat\" u 1:3 w p 5" >> $NomGplot
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     echo "replot \"${Nom}_spline.${i}\" u 2:4 w l" >> $NomGplot
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     echo "replot \"${Nom}_${i}.dat\" u 1:3 w p  ls 5" >> $NomGplot
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     echo "replot \"${Nom}_spline.${i}\" u 2:4  t \"Spline\" w l ls 5" >> $NomGplot
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   elif [  -s ${Nom}_dbgtgt.${i} ]; then
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     echo "replot \"${Nom}_${i}.dat\" u 1:3 w p 5" >> $NomGplot
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     echo "replot \"${Nom}_dbgtgt.${i}\" u 2:(\$4*180./pi) w l" >> $NomGplot
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     echo "replot \"${Nom}_${i}.dat\" u 1:3 w lp ls 5" >> $NomGplot
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     echo "replot \"${Nom}_dbgtgt.${i}\" u 2:(\$4*180./pi) t \"Tangents\" w l ls 4" >> $NomGplot
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   else
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     echo "replot \"${Nom}_${i}.dat\" u 1:3 w lp 5" >> $NomGplot
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     echo "replot \"${Nom}_${i}.dat\" u 1:3 w lp ls 5" >> $NomGplot
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   fi
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 else
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   if [ -s ${Nom}_spline_${i}.dat ]; then
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     echo "replot \"${Nom}_${i}.dat\" u 1:3 w p 5" >> $NomGplot
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     echo "replot \"${Nom}_spline_${i}.dat\" u 1:3 w lp" >> $NomGplot
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     echo "replot \"${Nom}_${i}.dat\" u 1:3 w p ls 5" >> $NomGplot
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     echo "replot \"${Nom}_spline_${i}.dat\" u 1:3 w lp ls 5" >> $NomGplot
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   elif [  -s ${Nom}_dbgtgt_${i}.dat ]; then
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     echo "replot \"${Nom}_${i}.dat\" u 1:3 w p 5" >> $NomGplot
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     echo "replot \"${Nom}_dbgtgt_${i}.dat\" u 1:3 w l" >> $NomGplot
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     echo "replot \"${Nom}_${i}.dat\" u 1:3 w lp ls 5" >> $NomGplot
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     echo "replot \"${Nom}_dbgtgt_${i}.dat\" u 1:3 w l ls 4" >> $NomGplot
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   else
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     echo "replot \"${Nom}_${i}.dat\" u 1:3 w lp 5" >> $NomGplot
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     echo "replot \"${Nom}_${i}.dat\" u 1:3 w lp ls 5" >> $NomGplot
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   fi
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 fi
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 if [ "$Tgt" != "" ]; then
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  echo "replot \"${Nom}_tgt_${i}.dat\" u 1:3 w l" >> $NomGplot
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  echo "replot \"${Nom}_tgt_${i}.dat\" u 1:3 w l ls 1" >> $NomGplot
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 fi
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 echo "pause -1" >> $NomGplot
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 done
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let i=ItMax
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 let i=ItMax
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 xyz2scan ${Nom}${Ext}.${i} > /dev/null
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 mv Scan.dat ${Nom}_${i}.dat
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 cat <<EOF >>  $NomGplot
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 clear
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 set xrange [1.:2.5]
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 set yrange [-10:190]
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 plot "HCN_irc.dat" u 1:3 w l
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 plot "HCN_irc.dat" u 1:3 t " IRC" w l ls 1
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EOF
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 if [ "$PES" != "" ]; then
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  echo "replot \"HCN_PES_2D.dat\" u 1:2 w l 2, \"HCN_PES_2D.dat\" u 1:(-\$2) w l 2,\"HCN_PES_2D.dat\" u 1:(360-\$2) w l 2" >> $NomGplot
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  echo "replot \"HCN_PES_2D.dat\" u 1:2  t \"\" w l ls 2, \"HCN_PES_2D.dat\" u 1:(-\$2)  t \"\" w l ls 2,\"HCN_PES_2D.dat\" u 1:(360-\$2)  t \"\" w l ls 2" >> $NomGplot
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 fi
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 if [ -s ${Nom}_spline.${i} ]; then
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 echo "replot \"${Nom}_${i}.dat\" u 1:3 w p 5" >> $NomGplot
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 echo "replot \"${Nom}_spline.${i}\" u 2:4 w l" >> $NomGplot
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 echo "replot \"${Nom}_${i}.dat\" u 1:3 w p ls 5" >> $NomGplot
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 echo "replot \"${Nom}_spline.${i}\" u 2:4 w l ls 5" >> $NomGplot
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 elif [  -s ${Nom}_dbgtgt_${i}.dat ]; then
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 echo "replot \"${Nom}_${i}.dat\" u 1:3 w p 5" >> $NomGplot
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 echo "replot \"${Nom}_dbgtgt_${i}.dat\" u 2:(\$4*180./pi) w l" >> $NomGplot
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 echo "replot \"${Nom}_${i}.dat\" u 1:3 w lp ls 5" >> $NomGplot
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 echo "replot \"${Nom}_dbgtgt_${i}.dat\" u 2:(\$4*180./pi) w l ls 4" >> $NomGplot
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 else
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 echo "replot \"${Nom}_${i}.dat\" u 1:3 w lp 5" >> $NomGplot
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 echo "replot \"${Nom}_${i}.dat\" u 1:3 w lp ls 5" >> $NomGplot
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fi
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 echo "pause -1" >> $NomGplot
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chmod u+x $NomGplot

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