seniority/F2_cc-pvdz/plot_frac.gnu
2021-11-03 18:08:46 +01:00

44 lines
2.5 KiB
Gnuplot

#!/bin/gnuplot
set terminal pngcairo size 600,600 enhanced font 'Verdana,10'
set output 'plot_frac.png'
set xrange[0.95:5.0]
# VIEW 1
#set yrange[0.0:1.0]
# VIEW 2
set yrange[0.75:1.0]
set style line 1 dt 1 lw 1 linecolor rgb "gray"
set style line 2 dt 1 lw 1 linecolor rgb "red"
set style line 3 dt 1 lw 1 linecolor rgb "green"
set style line 4 dt 1 lw 1 linecolor rgb "blue"
set style line 5 dt 2 lw 1 linecolor rgb "blue"
set style line 6 dt 1 lw 1 linecolor rgb "orange"
set xlabel 'Distance (angstrom)'
set ylabel 'Energy error (Hartree)'
plot '< paste pes_fci.dat pes_rhf.dat pes_rhf.dat' using 1:(($6-$4)/($2-$4)) w l ls 1 notitle, \
'< paste pes_fci.dat pes_rhf.dat pes_s4.e2.dat' using 1:(($6-$4)/($2-$4)) w l ls 3 notitle, \
'< paste pes_fci.dat pes_rhf.dat pes_s6.e3.dat' using 1:(($6-$4)/($2-$4)) w l ls 3 notitle, \
'< paste pes_fci.dat pes_rhf.dat pes_s8.e4.dat' using 1:(($6-$4)/($2-$4)) w l ls 3 notitle, \
'< paste pes_fci.dat pes_rhf.dat pes_CIo1.dat' using 1:(($6-$4)/($2-$4)) w l ls 5 notitle, \
'< paste pes_fci.dat pes_rhf.dat pes_CIo1.5.dat' using 1:(($6-$4)/($2-$4)) w l ls 5 notitle, \
'< paste pes_fci.dat pes_rhf.dat pes_CIo2.dat' using 1:(($6-$4)/($2-$4)) w l ls 4 notitle, \
'< paste pes_fci.dat pes_rhf.dat pes_CIo2.5.dat' using 1:(($6-$4)/($2-$4)) w l ls 5 notitle, \
'< paste pes_fci.dat pes_rhf.dat pes_CIo3.dat' using 1:(($6-$4)/($2-$4)) w l ls 4 notitle, \
'< paste pes_fci.dat pes_rhf.dat pes_CIo3.5.dat' using 1:(($6-$4)/($2-$4)) w l ls 5 notitle, \
'< paste pes_fci.dat pes_rhf.dat pes_CIo4.dat' using 1:(($6-$4)/($2-$4)) w l ls 4 notitle, \
'< paste pes_fci.dat pes_rhf.dat pes_pccd.dat' using 1:(($6-$4)/($2-$4)) w l ls 6 notitle, \
'< paste pes_fci.dat pes_rhf.dat pes_fci.dat' using 1:(($6-$4)/($2-$4)) w l ls 2 notitle
# '< paste pes_fci.dat pes_rhf.dat pes_s0.e2.dat' using 1:(($6-$4)/($2-$4)) w l ls 1 notitle, \
# '< paste pes_fci.dat pes_rhf.dat pes_s2.e2.dat' using 1:(($6-$4)/($2-$4)) w l ls 1 notitle, \
# '< paste pes_fci.dat pes_rhf.dat pes_s2.e3.dat' using 1:(($6-$4)/($2-$4)) w l ls 1 notitle, \
# '< paste pes_fci.dat pes_rhf.dat pes_s4.e3.dat' using 1:(($6-$4)/($2-$4)) w l ls 1 notitle, \
# '< paste pes_fci.dat pes_rhf.dat pes_s0.e4.dat' using 1:(($6-$4)/($2-$4)) w l ls 1 notitle, \
# '< paste pes_fci.dat pes_rhf.dat pes_s2.e4.dat' using 1:(($6-$4)/($2-$4)) w l ls 1 notitle, \
# '< paste pes_fci.dat pes_rhf.dat pes_s4.e4.dat' using 1:(($6-$4)/($2-$4)) w l ls 1 notitle, \
#pause -1