75 lines
2.7 KiB
Gnuplot
75 lines
2.7 KiB
Gnuplot
#!/bin/gnuplot
|
|
|
|
#set terminal pngcairo size 600,600 enhanced font 'Verdana,10'
|
|
#set output 'plot_pes.png'
|
|
#set terminal postscript eps size 5.3,3.0 enhanced color \
|
|
|
|
set terminal postscript eps size 5.3,5.3 enhanced color \
|
|
font 'Helvetica,24' linewidth 2
|
|
set output 'force.eps'
|
|
set encoding iso_8859_1
|
|
|
|
###################################################################################
|
|
###################################################################################
|
|
# SYSTEM DEPENDENT PART:
|
|
set xrange[1:1e5]
|
|
set logscale x
|
|
set format x "10^{%T}"
|
|
set xtics 10**2
|
|
set mxtics 1
|
|
|
|
# VIEW 1:
|
|
set yrange[0.58:0.68]
|
|
set format y "%.2f"
|
|
set ytics 0.02
|
|
###################################################################################
|
|
###################################################################################
|
|
|
|
set grid xtics ytics mxtics mytics #lc rgb 'blue' lt 1, lc rgb 'red' lt 1
|
|
|
|
if (!exists("MP_LEFT")) MP_LEFT = 0.15
|
|
if (!exists("MP_RIGHT")) MP_RIGHT = 0.98
|
|
if (!exists("MP_BOTTOM")) MP_BOTTOM = 0.10
|
|
if (!exists("MP_TOP")) MP_TOP = 0.97
|
|
if (!exists("MP_xGAP")) MP_xGAP = 0.08
|
|
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 2 linecolor rgb "gray60"
|
|
set style line 2 dt 1 lw 2 linecolor rgb "black"
|
|
|
|
set style line 3 dt 1 lw 2 linecolor rgb "light-red" pt 13 ps 2
|
|
set style line 4 dt 1 lw 2 linecolor rgb "sea-green" pt 13 ps 2
|
|
set style line 8 dt 1 lw 2 linecolor rgb "medium-blue" pt 13 ps 2
|
|
set style line 13 dt 1 lw 2 linecolor rgb "light-red" pt 7 ps 2
|
|
set style line 14 dt 1 lw 2 linecolor rgb "sea-green" pt 7 ps 2
|
|
set style line 18 dt 1 lw 2 linecolor rgb "medium-blue" pt 7 ps 2
|
|
|
|
set xlabel 'Number of determinants'
|
|
set ylabel "Force constant (Hartree/{\305}^{2})"
|
|
|
|
###################################################################################
|
|
###################################################################################
|
|
# SYSTEM DEPENDENT PART:
|
|
|
|
plot 'det_aD_FCI.dat' u 2:(2*$3*$3*$5) w l ls 2 notitle, \
|
|
'det_aD_CI.dat' u 1:(2*$3*$3*$5) w lp ls 3 notitle, \
|
|
'det_aD_CIs.dat' u 1:(2*$3*$3*$5) w lp ls 8 notitle, \
|
|
'det_aD_CIo.dat' u 1:(2*$3*$3*$5) w lp ls 4 notitle
|
|
|
|
unset ylabel
|
|
unset label
|
|
set format y ""
|
|
|
|
plot 'det_aD_FCI.dat' u 2:(2*$3*$3*$5) w l ls 2 notitle, \
|
|
'det_aD_ooCI.dat' u 1:(2*$3*$3*$5) w lp ls 13 notitle, \
|
|
'det_aD_ooCIs.dat' u 1:(2*$3*$3*$5) w lp ls 18 notitle, \
|
|
'det_aD_ooCIo.dat' u 1:(2*$3*$3*$5) w lp ls 14 notitle
|
|
|
|
###################################################################################
|
|
###################################################################################
|
|
|
|
#pause -1
|