Révision 11 examples/Test/Dep_tscan_p
| Dep_tscan_p (revision 11) | ||
|---|---|---|
| 58 | 58 |
clear |
| 59 | 59 |
set xrange [1.:2.5] |
| 60 | 60 |
set yrange [-10:190] |
| 61 |
plot "HCN_irc.dat" u 1:3 w l
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| 61 |
plot "HCN_irc.dat" u 1:3 t "IRC" w l ls 1
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| 62 | 62 |
EOF |
| 63 | 63 |
if [ "$PES" != "" ]; then |
| 64 |
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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| 64 |
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" >> $NomGplot
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| 65 | 65 |
fi |
| 66 | 66 |
if [ "$Ext" = "_cart" ]; then |
| 67 | 67 |
if [ -s ${Nom}_spline.${i} ]; then
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| 68 |
echo "replot \"${Nom}_${i}.dat\" u 1:3 w p 5" >> $NomGplot
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| 69 |
echo "replot \"${Nom}_spline.${i}\" u 2:4 w l" >> $NomGplot
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| 68 |
echo "replot \"${Nom}_${i}.dat\" u 1:3 w p ls 5" >> $NomGplot
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| 69 |
echo "replot \"${Nom}_spline.${i}\" u 2:4 t \"Spline\" w l ls 5" >> $NomGplot
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| 70 | 70 |
elif [ -s ${Nom}_dbgtgt.${i} ]; then
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| 71 |
echo "replot \"${Nom}_${i}.dat\" u 1:3 w p 5" >> $NomGplot
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| 72 |
echo "replot \"${Nom}_dbgtgt.${i}\" u 2:(\$4*180./pi) w l" >> $NomGplot
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| 71 |
echo "replot \"${Nom}_${i}.dat\" u 1:3 w lp ls 5" >> $NomGplot
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| 72 |
echo "replot \"${Nom}_dbgtgt.${i}\" u 2:(\$4*180./pi) t \"Tangents\" w l ls 4" >> $NomGplot
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| 73 | 73 |
else |
| 74 |
echo "replot \"${Nom}_${i}.dat\" u 1:3 w lp 5" >> $NomGplot
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| 74 |
echo "replot \"${Nom}_${i}.dat\" u 1:3 w lp ls 5" >> $NomGplot
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| 75 | 75 |
fi |
| 76 | 76 |
else |
| 77 | 77 |
if [ -s ${Nom}_spline_${i}.dat ]; then
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| 78 |
echo "replot \"${Nom}_${i}.dat\" u 1:3 w p 5" >> $NomGplot
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| 79 |
echo "replot \"${Nom}_spline_${i}.dat\" u 1:3 w lp" >> $NomGplot
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| 78 |
echo "replot \"${Nom}_${i}.dat\" u 1:3 w p ls 5" >> $NomGplot
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| 79 |
echo "replot \"${Nom}_spline_${i}.dat\" u 1:3 w lp ls 5" >> $NomGplot
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| 80 | 80 |
elif [ -s ${Nom}_dbgtgt_${i}.dat ]; then
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| 81 |
echo "replot \"${Nom}_${i}.dat\" u 1:3 w p 5" >> $NomGplot
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| 82 |
echo "replot \"${Nom}_dbgtgt_${i}.dat\" u 1:3 w l" >> $NomGplot
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| 81 |
echo "replot \"${Nom}_${i}.dat\" u 1:3 w lp ls 5" >> $NomGplot
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| 82 |
echo "replot \"${Nom}_dbgtgt_${i}.dat\" u 1:3 w l ls 4" >> $NomGplot
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| 83 | 83 |
else |
| 84 |
echo "replot \"${Nom}_${i}.dat\" u 1:3 w lp 5" >> $NomGplot
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| 84 |
echo "replot \"${Nom}_${i}.dat\" u 1:3 w lp ls 5" >> $NomGplot
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| 85 | 85 |
fi |
| 86 | 86 |
fi |
| 87 | 87 |
if [ "$Tgt" != "" ]; then |
| 88 |
echo "replot \"${Nom}_tgt_${i}.dat\" u 1:3 w l" >> $NomGplot
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| 88 |
echo "replot \"${Nom}_tgt_${i}.dat\" u 1:3 w l ls 1" >> $NomGplot
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| 89 | 89 |
fi |
| 90 | 90 |
echo "pause -1" >> $NomGplot |
| 91 | 91 |
done |
| 92 |
let i=ItMax |
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| 92 |
let i=ItMax
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| 93 | 93 |
xyz2scan ${Nom}${Ext}.${i} > /dev/null
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| 94 | 94 |
mv Scan.dat ${Nom}_${i}.dat
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| 95 | 95 |
cat <<EOF >> $NomGplot |
| 96 | 96 |
clear |
| 97 | 97 |
set xrange [1.:2.5] |
| 98 | 98 |
set yrange [-10:190] |
| 99 |
plot "HCN_irc.dat" u 1:3 w l
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| 99 |
plot "HCN_irc.dat" u 1:3 t " IRC" w l ls 1
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| 100 | 100 |
EOF |
| 101 | 101 |
if [ "$PES" != "" ]; then |
| 102 |
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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| 102 |
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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| 103 | 103 |
fi |
| 104 | 104 |
if [ -s ${Nom}_spline.${i} ]; then
|
| 105 |
echo "replot \"${Nom}_${i}.dat\" u 1:3 w p 5" >> $NomGplot
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| 106 |
echo "replot \"${Nom}_spline.${i}\" u 2:4 w l" >> $NomGplot
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| 105 |
echo "replot \"${Nom}_${i}.dat\" u 1:3 w p ls 5" >> $NomGplot
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| 106 |
echo "replot \"${Nom}_spline.${i}\" u 2:4 w l ls 5" >> $NomGplot
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| 107 | 107 |
elif [ -s ${Nom}_dbgtgt_${i}.dat ]; then
|
| 108 |
echo "replot \"${Nom}_${i}.dat\" u 1:3 w p 5" >> $NomGplot
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| 109 |
echo "replot \"${Nom}_dbgtgt_${i}.dat\" u 2:(\$4*180./pi) w l" >> $NomGplot
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| 108 |
echo "replot \"${Nom}_${i}.dat\" u 1:3 w lp ls 5" >> $NomGplot
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| 109 |
echo "replot \"${Nom}_dbgtgt_${i}.dat\" u 2:(\$4*180./pi) w l ls 4" >> $NomGplot
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| 110 | 110 |
else |
| 111 |
echo "replot \"${Nom}_${i}.dat\" u 1:3 w lp 5" >> $NomGplot
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| 111 |
echo "replot \"${Nom}_${i}.dat\" u 1:3 w lp ls 5" >> $NomGplot
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| 112 | 112 |
fi |
| 113 | 113 |
echo "pause -1" >> $NomGplot |
| 114 | 114 |
chmod u+x $NomGplot |
Formats disponibles : Unified diff