50 lines
2.2 KiB
Gnuplot
50 lines
2.2 KiB
Gnuplot
#!/bin/gnuplot
|
|
|
|
#set terminal pngcairo size 600,600 enhanced font 'Verdana,10'
|
|
#set output 'plot_error.png'
|
|
|
|
#set xrange[0.95:5.0]
|
|
set xrange[0.95:10.0]
|
|
# VIEW 1
|
|
#set logscale y
|
|
#set yrange[1.0e-3:1.0]
|
|
# VIEW 2
|
|
#set yrange[0.0:0.35]
|
|
# VIEW 3
|
|
set yrange[0.0:0.15]
|
|
# VIEW 4
|
|
#set yrange[0.0:0.02]
|
|
|
|
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' using 1:($4-$2) w l ls 1 notitle, \
|
|
'< paste pes_fci.dat pes_s4.e2.dat' using 1:($4-$2) w l ls 3 notitle, \
|
|
'< paste pes_fci.dat pes_s6.e3.dat' using 1:($4-$2) w l ls 3 notitle, \
|
|
'< paste pes_fci.dat pes_s8.e4.dat' using 1:($4-$2) w l ls 3 notitle, \
|
|
'< paste pes_fci.dat pes_CIo1.dat' using 1:($4-$2) w l ls 5 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_pccd.dat' using 1:($4-$2) w l ls 6 notitle, \
|
|
'< paste pes_fci.dat pes_fci.dat' using 1:($4-$2) w l ls 2 notitle
|
|
# '< paste pes_fci.dat pes_s0.e2.dat' using 1:($4-$2) w l ls 1 notitle, \
|
|
# '< paste pes_fci.dat pes_s2.e2.dat' using 1:($4-$2) w l ls 1 notitle, \
|
|
# '< paste pes_fci.dat pes_s2.e3.dat' using 1:($4-$2) w l ls 1 notitle, \
|
|
# '< paste pes_fci.dat pes_s4.e3.dat' using 1:($4-$2) w l ls 1 notitle, \
|
|
# '< paste pes_fci.dat pes_s0.e4.dat' using 1:($4-$2) w l ls 1 notitle, \
|
|
# '< paste pes_fci.dat pes_s2.e4.dat' using 1:($4-$2) w l ls 1 notitle, \
|
|
# '< paste pes_fci.dat pes_s4.e4.dat' using 1:($4-$2) w l ls 1 notitle, \
|
|
|
|
pause -1
|