90 lines
3.7 KiB
Gnuplot
90 lines
3.7 KiB
Gnuplot
#!/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
|
|
|
|
###################################################################################
|
|
###################################################################################
|
|
# SYSTEM DEPENDENT PART:
|
|
|
|
xmin=1.0
|
|
xmax=10.0
|
|
#set xrange[0.95:5.0]
|
|
set xrange[1.0:10.0]
|
|
|
|
ymin=1.0e-4
|
|
ymax=1.0
|
|
# VIEW 1
|
|
set logscale y
|
|
set yrange[1.0e-4:1.0]
|
|
set format y "10^{%T}"
|
|
|
|
# VIEW 2
|
|
#set yrange[0.0:0.05]
|
|
#set format y "%.2f"
|
|
|
|
###################################################################################
|
|
###################################################################################
|
|
|
|
|
|
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 "dark-blue"
|
|
|
|
set xlabel "Distance (a_{0})"
|
|
set ylabel 'Energy error (Hartree)'
|
|
|
|
###################################################################################
|
|
###################################################################################
|
|
# 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_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_fci.dat' using 1:($4-$2) w l ls 2 notitle
|
|
# '< paste pes_fci.dat pes_CIo3.dat' using 1:($4-$2) w l ls 4 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_ooCIs0.dat' using 1:($4-$2) w l ls 8 notitle, \
|
|
'< paste pes_fci.dat pes_ooCIs2.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
|
|
|
|
###################################################################################
|
|
###################################################################################
|