def main():
# X = np.arange(10)
# Y = np.sin(X / (2 * np.pi))
# Z = Y ** 2.0
X = Y = np.array(list(range(10)))
Z = np.array(X**3)
Z2 = np.array(X**4)
gp.s([X, Y, Z, Z2])
gp.c('splot "tmp.dat" using 1:2:3 with lines')
gp.c('replot "tmp.dat" u 1:2:4 w lines')
# gp.c('splot "tmp.dat" using 1:2:3:($3+$4) with zerrorfill')
# gp.c('replot "tmp.dat" u 1:3 w lp')
gp.p('myfigure.ps')
def Data_compare_Fig2(Properties, data, name):
TYPE1 = "VASP-" + data
TYPE2 = "ATOM-" + data
TYPE3 = "VASP-" + "WAV-CAL"
plot_command1 = "plot " + '"VASP_' + data + '" ' + 'u 1:2 w p pt 3 lw 1.2 title "' + TYPE1 + '"'
plot_command2 = "replot " + '"ATOM_' + data + '" ' + 'u 1:2 w l lt 5 lw 1.8 title "' + TYPE2 + '"'
plot_command3 = "replot " + '"VASP_' + data + '" ' + 'u 1:3 w l lt 7 lw 1.8 title "' + TYPE3 + '"'
# print(plot_command_VASP)
# exit ()
Fig_title = "set title " + '"' + name + '"'
Fig_name = name + ".eps"
gp.c(Fig_title)
gp.c('set xrange[0:3.0]')
if (Properties == "waefunction"):
gp.c('set yrange[-1:1.5]')
elif (Properties == "wpsfunction"):
gp.c('set yrange[-0.5:1.5]')
elif (Properties == "density" and data == "PCORE"):
gp.c('set yrange[0:1]')
elif (Properties == "density" and data == "CORE"):
gp.c('set yrange[0:9]')
elif (Properties == "potential" and data == "POTAE"):
gp.c('set yrange[-50: 100]')
elif (Properties == "potential" and data == "POTPS"):
gp.c('set yrange[-50: 20]')
# elif (Properties == "potential" and data1 == "POTAE" and data2 == "POTPS"):
# gp.c('set yrange[-50: 100]')
# elif (Properties == "potential" and data1 == "POTAEC" and data2 == "POTPSC"):
# gp.c('set yrange[-500: 50]')
else:
# gp.c('set yrange[-50:250]')
gp.c('set yrange[0:4]')
gp.c(plot_command1)
gp.c(plot_command2)
gp.c(plot_command3)
# gp.c('plot "VASP_WAE" u 1:2 w p pt 3 ps 2 title "VASP-AE"')
# gp.c(plot_command_ATOM)
# gp.p('myfigure.ps')
gp.p(Fig_name)
def Data_Fig(Properties, type, data, name):
TYPE = type + "-" + data
# TYPE2 = "ATOM-"+type
plot_command1 = "plot " + '"' + type + '_' + data + '" ' + 'u 1:2 w p pt 3 ps 1.2 title "' + TYPE + '"'
plot_command2 = "replot " + '"' + type + '_' + data + '" ' + 'u 1:3 w l lt 5 lw 1.2 title "' + TYPE + '"'
# plot_command_ATOM = "replot "+'"ATOM_'+data +'" '+'u 1:2 w l lt 5 lw 1.8 title "'+TYPE2+'"'
# print(plot_command_VASP)
# exit ()
Fig_title = "set title " + '"' + data + '"'
Fig_name = type + "_" + name + ".eps"
gp.c(Fig_title)
if (Properties == "wavefunction"):
gp.c('set xrange[0:1.5]')
gp.c('set yrange[-1.5:1.5]')
gp.c(plot_command1)
gp.c(plot_command2)
# gp.c('plot "VASP_WAE" u 1:2 w p pt 3 ps 2 title "VASP-AE"')
# gp.c(plot_command_ATOM)
# gp.p('myfigure.ps')
gp.p(Fig_name)
import PyGnuplot as gp
import numpy as np
X = np.arange(10)
Y = np.sin(X / (2 * np.pi))
Z = Y**2.0
gp.s([X, Y, Z])
gp.c('plot "tmp.dat" u 1:2 w l')
gp.c('replot "tmp.dat" u 1:3 w l')
gp.p('myfigure.ps')