seniority/ethylene_cc-pvdz/plot_error.gnu

#!/bin/gnuplot

#set terminal pngcairo size 600,600 enhanced font 'Verdana,10'
#set output 'plot_error.png'

set terminal postscript eps size 5.3,5.3 enhanced color \
    font 'Helvetica,24' linewidth 2
set output 'plot_error.eps'
set encoding iso_8859_1

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# SYSTEM DEPENDENT PART:

xmin=1.50
xmax=16.0
set xrange[1.50:16.0]

ymin=0.0
ymax=0.4
# VIEW 1
set yrange[0.0:0.4]
#set format y "%.1f"
set ytics 0.1

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if (!exists("MP_LEFT"))   MP_LEFT = 0.15
if (!exists("MP_RIGHT"))  MP_RIGHT = 0.97
if (!exists("MP_BOTTOM")) MP_BOTTOM = 0.10
if (!exists("MP_TOP"))    MP_TOP = 0.97
if (!exists("MP_xGAP"))   MP_xGAP = 0.06
if (!exists("MP_yGAP"))   MP_yGAP = 0.08

set multiplot layout 1,2 rowsfirst \
               margins screen MP_LEFT, MP_RIGHT, MP_BOTTOM, MP_TOP spacing screen MP_xGAP, MP_yGAP

set style line 1 dt 1 lw 3 linecolor rgb "gray60"
set style line 2 dt 1 lw 3 linecolor rgb "black"
set style line 3 dt 1 lw 3 linecolor rgb "light-red"
set style line 4 dt 1 lw 3 linecolor rgb "sea-green"
set style line 5 dt 2 lw 3 linecolor rgb "sea-green"
set style line 6 dt 1 lw 3 linecolor rgb "orange"
set style line 7 dt 2 lw 3 linecolor rgb "orange"
set style line 8 dt 1 lw 3 linecolor rgb "medium-blue"

set xlabel "Distance (a_{0})"
set ylabel 'Energy error (Hartree)'

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# SYSTEM DEPENDENT PART:

plot '< paste pes_fci.dat pes_rhf.dat'    using 1:($4-$2) w l ls 1 notitle, \
     '< paste pes_fci.dat pes_CISD.dat'   using 1:($4-$2) w l ls 3 notitle, \
     '< paste pes_fci.dat pes_CISDT.dat'  using 1:($4-$2) w l ls 3 notitle, \
     '< paste pes_fci.dat pes_CISDTQ.dat' using 1:($4-$2) w l ls 3 notitle, \
     '< paste pes_fci.dat pes_s0.dat'     using 1:($4-$2) w l ls 8 notitle, \
     '< paste pes_fci.dat pes_s2.dat'     using 1:($4-$2) w l ls 8 notitle, \
     '< paste pes_fci.dat pes_s4.dat'     using 1:($4-$2) w l ls 8 notitle, \
     '< paste pes_fci.dat pes_CIo1.dat'   using 1:($4-$2) w l ls 4 notitle, \
     '< paste pes_fci.dat pes_CIo1.5.dat' using 1:($4-$2) w l ls 5 notitle, \
     '< paste pes_fci.dat pes_CIo2.dat'   using 1:($4-$2) w l ls 4 notitle, \
     '< paste pes_fci.dat pes_CIo2.5.dat' using 1:($4-$2) w l ls 5 notitle, \
     '< paste pes_fci.dat pes_CIo3.dat'   using 1:($4-$2) w l ls 4 notitle, \
     '< paste pes_fci.dat pes_CIo3.5.dat' using 1:($4-$2) w l ls 5 notitle, \
     '< paste pes_fci.dat pes_CIo4.dat'   using 1:($4-$2) w l ls 4 notitle, \
     '< paste pes_fci.dat pes_fci.dat'    using 1:($4-$2) w l ls 2 notitle

unset ylabel
set format y ""

plot '< paste pes_fci.dat pes_rhf.dat'      using 1:($4-$2) w l ls 1 notitle, \
     '< paste pes_fci.dat pes_ooCIS.dat'    using 1:($4-$2) w l ls 3 notitle, \
     '< paste pes_fci.dat pes_ooCISD.dat'   using 1:($4-$2) w l ls 3 notitle, \
     '< paste pes_fci.dat pes_ooCISDT.dat'  using 1:($4-$2) w l ls 3 notitle, \
     '< paste pes_fci.dat pes_ooCIs0.dat'   using 1:($4-$2) w l ls 8 notitle, \
     '< paste pes_fci.dat pes_ooCIo1.dat'   using 1:($4-$2) w l ls 4 notitle, \
     '< paste pes_fci.dat pes_ooCIo1.5.dat' using 1:($4-$2) w l ls 5 notitle, \
     '< paste pes_fci.dat pes_ooCIo2.dat'   using 1:($4-$2) w l ls 4 notitle, \
     '< paste pes_fci.dat pes_ooCIo2.5.dat' using 1:($4-$2) w l ls 5 notitle, \
     '< paste pes_fci.dat pes_fci.dat'      using 1:($4-$2) w l ls 2 notitle

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