#!/bin/gnuplot

#set terminal pngcairo size 600,600 enhanced font 'Verdana,10'
#set output 'plot_pes.png'
set terminal postscript eps size 5.5,7.3 enhanced color \
    font 'Helvetica,22' linewidth 2
set output 'plot_stat_HF.eps'
set encoding iso_8859_1

###################################################################################
###################################################################################
# SYSTEM DEPENDENT PART:
#set yrange[1e-2:1]
#set logscale y
#set format y "10^{%T}"
#set yrange[0:1]

set xrange[1:1e9]
set logscale x
set format x "10^{%T}"

###################################################################################
###################################################################################

set xtics 10**3
set mxtics 1

#set grid xtics ytics mxtics mytics #lc rgb 'blue' lt 1, lc rgb 'red' lt 1

#if (!exists("MP_LEFT"))   MP_LEFT = 0.14
#if (!exists("MP_RIGHT"))  MP_RIGHT = 0.97
#if (!exists("MP_BOTTOM")) MP_BOTTOM = 0.09
#if (!exists("MP_TOP"))    MP_TOP = 0.97
#if (!exists("MP_xGAP"))   MP_xGAP = 0.15
#if (!exists("MP_yGAP"))   MP_yGAP = 0.07

if (!exists("MP_LEFT"))   MP_LEFT = 0.13
if (!exists("MP_RIGHT"))  MP_RIGHT = 0.98
if (!exists("MP_BOTTOM")) MP_BOTTOM = 0.09
if (!exists("MP_TOP"))    MP_TOP = 0.97
if (!exists("MP_xGAP"))   MP_xGAP = 0.16
if (!exists("MP_yGAP"))   MP_yGAP = 0.07


set multiplot layout 3,2 columnsfirst \
               margins screen MP_LEFT, MP_RIGHT, MP_BOTTOM, MP_TOP spacing screen MP_xGAP, MP_yGAP

set style line 2  dt 1 lw 2.0 linecolor rgb "black"
set style line 3  dt 1 lw 2.0 linecolor rgb "light-red"   pt 13 ps 2.0
set style line 4  dt 1 lw 2.0 linecolor rgb "sea-green"   pt 13 ps 2.0
set style line 8  dt 1 lw 2.0 linecolor rgb "medium-blue" pt 13 ps 2.0
set style line 13 dt 1 lw 2.0 linecolor rgb "light-red"   pt 7  ps 2.0
set style line 14 dt 1 lw 2.0 linecolor rgb "sea-green"   pt 7  ps 2.0
set style line 18 dt 1 lw 2.0 linecolor rgb "medium-blue" pt 7  ps 2.0

#set label 1  'Number of determinants'           at screen 0.40,0.03              tc ls 2 #font 'Verdana,20'
set label 11 'cc-pVDZ'          at screen 0.32,0.94              tc ls 2 font 'Helvetica,26'
set label 12 'cc-pVTZ'          at screen 0.32,0.62              tc ls 2 font 'Helvetica,26'
set label 13 'cc-pVQZ'          at screen 0.32,0.31              tc ls 2 font 'Helvetica,26'
set label 21 'cc-pVDZ'          at screen 0.82,0.94              tc ls 2 font 'Helvetica,26'
set label 22 'cc-pVTZ'          at screen 0.82,0.62              tc ls 2 font 'Helvetica,26'
set label 23 'cc-pVQZ'          at screen 0.82,0.31              tc ls 2 font 'Helvetica,26'

hartree = 4.3597447222071e-18  # joules
bohr    = 1./18897161646.321   # m
amu     = 1.6605402e-27        # kg
c       = 299792458.0          # m/s
mole    = 6.02214076e23


set xrange[1:1e9]
set xtics 10**2
set yrange[0:0.30]
set ytics 0.1
nel=8
nel=1
plot '../HF_cc-pvdz/stat_CI.dat'   u ($3):($4/nel)  w lp ls 3  notitle, \
     '../HF_cc-pvdz/stat_CIs.dat'  u ($3):($4/nel)  w lp ls 8  notitle, \
     '../HF_cc-pvdz/stat_CIo.dat'  u ($3):($4/nel)  w lp ls 4  notitle
unset ylabel
unset label


set xrange[1:1e9]
set xtics 10**2
set yrange[0:0.30]
set ytics 0.1
set ylabel  'Non-parallelity error (Hartree)'
nel=8
nel=1
plot '../HF_cc-pvtz/stat_CI.dat'   u ($3):($4/nel)  w lp ls 3  notitle, \
     '../HF_cc-pvtz/stat_CIs.dat'  u ($3):($4/nel)  w lp ls 8  notitle, \
     '../HF_cc-pvtz/stat_CIo.dat'  u ($3):($4/nel)  w lp ls 4  notitle
unset ylabel
unset label


set xrange[1:1e9]
set xtics 10**2
set yrange[0:0.30]
set ytics 0.1
nel=8
nel=1
set xlabel  'Number of determinants'
plot '../HF_cc-pvqz/stat_CI.dat'   u ($3):($4/nel)  w lp ls 3  notitle, \
     '../HF_cc-pvqz/stat_CIs.dat'  u ($3):($4/nel)  w lp ls 8  notitle, \
     '../HF_cc-pvqz/stat_CIo.dat'  u ($3):($4/nel)  w lp ls 4  notitle
unset xlabel
unset ylabel
unset label

set xrange[1:1e9]
set xtics 10**2
set yrange[0:0.90]
set ytics 0.2
nel=8
nel=1
plot '../HF_cc-pvdz/stat_CI.dat'   u ($3):($5/nel)  w lp ls 3  notitle, \
     '../HF_cc-pvdz/stat_CIs.dat'  u ($3):($5/nel)  w lp ls 8  notitle, \
     '../HF_cc-pvdz/stat_CIo.dat'  u ($3):($5/nel)  w lp ls 4  notitle
unset ylabel
unset label


set xrange[1:1e9]
set xtics 10**2
set yrange[0:0.90]
set ytics 0.2
set ylabel  'Distance error (Hartree)'
nel=8
nel=1
plot '../HF_cc-pvtz/stat_CI.dat'   u ($3):($5/nel)  w lp ls 3  notitle, \
     '../HF_cc-pvtz/stat_CIs.dat'  u ($3):($5/nel)  w lp ls 8  notitle, \
     '../HF_cc-pvtz/stat_CIo.dat'  u ($3):($5/nel)  w lp ls 4  notitle
unset ylabel
unset label


set xrange[1:1e9]
set xtics 10**2
set yrange[0:0.90]
set ytics 0.2
nel=8
nel=1
set xlabel  'Number of determinants'
plot '../HF_cc-pvqz/stat_CI.dat'   u ($3):($5/nel)  w lp ls 3  notitle, \
     '../HF_cc-pvqz/stat_CIs.dat'  u ($3):($5/nel)  w lp ls 8  notitle, \
     '../HF_cc-pvqz/stat_CIo.dat'  u ($3):($5/nel)  w lp ls 4  notitle
unset ylabel
unset label