72 lines
2.2 KiB
Plaintext
72 lines
2.2 KiB
Plaintext
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#!/bin/gnuplot
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#set terminal pngcairo size 600,600 enhanced font 'Verdana,10'
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#set output 'plot_error.png'
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set terminal postscript eps size 5.3,5.3 enhanced color \
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font 'Helvetica,24' linewidth 2
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#set output 'plot_error.eps'
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set encoding iso_8859_1
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###################################################################################
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###################################################################################
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# SYSTEM DEPENDENT PART:
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xmin=0.95
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xmax=8.0
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#set xrange[0.95:5.0]
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set xrange[0.95:8.0]
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ymin=1.0e-3
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ymax=1.0
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# VIEW 1
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#set logscale y
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#set yrange[1.0e-3:1.0]
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# VIEW 2
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set yrange[0.0:0.35]
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# VIEW 3
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#set yrange[0.0:0.15]
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# VIEW 4
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#set yrange[0.0:0.02]
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###################################################################################
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###################################################################################
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set format y "%.2f"
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if (!exists("MP_LEFT")) MP_LEFT = 0.15
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if (!exists("MP_RIGHT")) MP_RIGHT = 0.98
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if (!exists("MP_BOTTOM")) MP_BOTTOM = 0.10
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if (!exists("MP_TOP")) MP_TOP = 0.98
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if (!exists("MP_xGAP")) MP_xGAP = 0.06
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if (!exists("MP_yGAP")) MP_yGAP = 0.08
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set multiplot layout 1,2 rowsfirst \
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margins screen MP_LEFT, MP_RIGHT, MP_BOTTOM, MP_TOP spacing screen MP_xGAP, MP_yGAP
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set style line 1 dt 1 lw 3 linecolor rgb "gray60"
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set style line 2 dt 1 lw 3 linecolor rgb "black"
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set style line 3 dt 1 lw 3 linecolor rgb "light-red"
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set style line 4 dt 1 lw 3 linecolor rgb "sea-green"
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set style line 5 dt 2 lw 3 linecolor rgb "sea-green"
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set style line 6 dt 1 lw 3 linecolor rgb "orange"
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set style line 7 dt 2 lw 3 linecolor rgb "orange"
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set xlabel "Distance ({\305})"
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set ylabel 'Energy error (Hartree)'
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###################################################################################
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###################################################################################
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# SYSTEM DEPENDENT PART:
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#stats "< paste pes_fci.dat pes_rhf.dat" u 1:($4-$2) nooutput
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stats "< paste pes_fci.dat pes_rhf.dat" #u ($4-$2) nooutput
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print STATS_OUTOFRANGE_x
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print STATS_RECORDS_x
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print STATS_MIN_y
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print STATS_MAX_y
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###################################################################################
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###################################################################################
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