41 lines
1.1 KiB
Plaintext
41 lines
1.1 KiB
Plaintext
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set xlabel "concentration"
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set ylabel "energy"
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set title "Fitted Energies"
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plot [0:1] \
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'predstr.out' u 1:3 t "predicted" w p 2, \
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'fit.out' u 1:3 t "known str" w p 1, \
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'gs.out' u 1:3 t "known gs" w linesp 3, \
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'newgs.out' u 1:3 t "predicted gs" w p 4
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pause -1
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set title "Calculated Energies"
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plot [0:1] \
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'fit.out' u 1:2 t "known str" w p 5, \
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'gs.out' u 1:2 t "known gs" w linesp 6
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pause -1
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set title "Calculated and Fitted Energies"
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plot [0:1] \
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'fit.out' u 1:2 t "calculated" w p 5, \
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'fit.out' u 1:3 t "fitted" w p 1
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pause -1
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set xlabel "diameter"
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set ylabel "energy"
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set title "ECI vs cluster diameter"
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set nokey
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set xzeroaxis
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set xtics ("pair" 0,"5" 5,"10" 10,"15" 15, "trip" 20,"5" 25,"10" 30,"15" 35, "quad" 40,"5" 45,"10" 50,"15" 55)
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plot [-5:60] 'clusinfo.out' u (($1-2)*20.+$2):($4)
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pause -1
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set title "Residuals of the fit (same order as in fit.out)"
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set xtics autofreq
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set ylabel "energy"
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set xlabel "line number in fit.out"
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plot 'fit.out' u 4
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pause -1
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set title "Fitted vs Calculated Energies"
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set ylabel "predicted energy"
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set xlabel "actual energy"
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set nokey
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plot \
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'fit.out' u 2:3 w p 1,x
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pause -1
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