ninux · November 29, 2023 21:00
diff --git a/fdtd_gui.py b/fdtd_gui.py
 import threading

 import time
 import tkinter as tk
 from tkinter import messagebox

 import matplotlib.pyplot as plt
 import numpy as np

 from matplotlib.figure import Figure
 from matplotlib.backends.backend_tkagg import (FigureCanvasTkAgg,
 NavigationToolbar2Tk)
 from matplotlib import animation
 from matplotlib import style

 class fdtd_core:

    def __init__(self):

        # create event to signal computation done
        self.fdtd_new_data = threading.Event()

        # general definitions and constants
        self.h = 6.626e-34               # [J*s]     Plank's constant
        self.hbar = self.h / (2 * np.pi) # [J*s]     reduced Plank's constant
        self.m0 = 9.1e-31                # [kg]      free space mass of electron (rest mass)

        self.meff_Si = 1.08              # [-]       effective mass factor of Si
        self.meff_Ge = 0.067             # [-]       effective mass factor of Ge
        self.meff_GaAs = 0.55            # [-]       effective mass factor of GaAs

        self.meff = self.meff_Si         # [m]       effective mass
        self.melec = self.meff * self.m0 # [?]       mass of an electron
        self.ecoul = 1.6e-19             # [C]       charge of an electron
        self.epsz = 8.85e-9              # [A*s/V/m] dielectric of free space
        self.eV2J = 1.6e-19              # [-]       energy conversion factor (eV to J)
        self.J2eV = 1 / self.eV2J        # [-]       energy conversion factor (J to eV)

        # energies
        self.PE = float(0)
        self.KE = float(0)

        # simulation parameters
        self.NN = 400                    # [-]       number of points in the problem space
        self.del_x = 0.1e-9              # [?]       cell size
        self.dt = 2e-17                  # [s]       time steps
        self.DX = self.del_x * 1e9       # [_]       cell size in nm
        self.XX = np.arange(0, self.DX * self.NN, self.DX)                                  # [-]       length in nm for plotting
        self.ra = (0.5 * self.hbar / self.melec) * (self.dt / np.power(self.del_x, 2))      # must be < 0.15 for stability

        # define stability threshold
        self.ra_stability_threshold = 0.15

        if (self.ra < self.ra_stability_threshold):
            # stable
            pass
        else:
            # unstable
            print("WARNING: Simulation setting results in unstable results")

        self.V = np.zeros(self.NN, dtype=float)

        # initialize sine wave in a gaussian envelope
        self.pulse_lambda = 40  # pulse wavelength
        self.pulse_sigma = 50   # pulse width
        self.nc = 100           # starting position
        self.ptot = 0.0         # total energy

        self.prl = np.zeros(self.NN, dtype=float)  # real part of the state variable
        self.pim = np.zeros(self.NN, dtype=float)  # imaginary part of the state variable

        for n in range(1, self.NN - 1):
            self.prl[n] = (np.exp(-1 * np.power((n-self.nc) / self.pulse_sigma, 2))
                           * np.cos(2 * np.pi * (n-self.nc) / self.pulse_lambda))
            self.pim[n] = (np.exp(-1 * np.power((n-self.nc) / self.pulse_sigma, 2))
                           * np.sin(2 * np.pi * (n-self.nc) / self.pulse_lambda))
            self.ptot = self.ptot + np.power(self.prl[n], 2) + np.power(self.pim[n], 2)

        self.pnorm = np.sqrt(self.ptot)

        # normalize data
        for n in range(1, self.NN):
            self.prl[n] = self.prl[n] / self.pnorm
            self.pim[n] = self.pim[n] / self.pnorm
            self.ptot = self.ptot + np.power(self.prl[n], 2) + np.power(self.pim[n], 2)

        self.XX_copy = self.XX
        self.prl_copy = self.prl
        self.pim_copy = self.pim

        self.T = 0          # absolute time in steps
        self.n_step = 100   # steps per loop
        self.count = 0      # number of loops
        self.nos = 100      # number of timesteps between plots
        self.nop = 3        # number of plots to be made

    def fdtd_calculation(self):

        for m in range(0, self.n_step - 1):
            self.T += 1
            for n in range(1, self.NN - 1):
                self.prl[n] = (self.prl[n]
                               - self.ra * (self.pim[n-1] - (2*self.pim[n]) + self.pim[n+1])
                               + (self.dt / self.hbar) * self.V[n] * self.pim[n])

            for n in range(1, self.NN - 1):
                self.pim[n] = (self.pim[n]
                               + self.ra * (self.prl[n-1] - (2*self.prl[n]) + self.prl[n+1])
                               - (self.dt/self.hbar) * self.V[n] * self.prl[n])

        # copy data
        self.XX_copy = self.XX
        self.prl_copy = self.prl
        self.pim_copy = self.pim

        # set event so signal computation is completed, new data available
        self.fdtd_new_data.set()

        # calculate energies
        ptot = float(0)
        #PE = float(0)
        psi = (self.prl*float(0) + 1j*self.pim*float(0))
        for n in range(0, self.NN):
            psi[n] = self.prl[n] + 1j*self.pim[n]
            self.PE = np.real(self.PE + (psi[n] * np.conjugate(psi[n]) * self.V[n]))
        self.PE = self.PE * self.J2eV

        ke = float(0) + 1j*float(0)
        for n in range(1, self.NN-1):
            lap_p = psi[n+1] - 2*psi[n] + psi[n-1]
            ke = ke + lap_p*np.conjugate(psi[n])
        self.KE = -self.J2eV*( np.power(self.hbar/self.del_x, 2) / (2*self.melec)) * np.real(ke)

    def get_location(self):
        return self.XX_copy

    def get_real(self):
        return self.prl_copy

    def get_imag(self):
        return self.pim_copy

    def fdtd_plot(self):
        plt.plot(self.XX, self.prl, 'k-', self.XX, self.pim, 'k--')
        plt.show()

    def check_normalization(self):
        self.norm_limit = (1e-3) * np.array([-1, 1]) + 1
        if (self.ptot > self.norm_limit[0] and self.ptot < self.norm_limit[1]):
            # normalization ok
            pass
        else:
            # normalization not ok
            print("WARNING: Normalization for energy not ok")

    def check_stability(self):
        if (self.ra < self.ra_stability_threshold):
            # stable
            pass
        else:
            # unstable
            print("WARNING: Simulation not stable, check parameters.")

    def set_simulation_size(self, value):
        self.NN = int(value)

    def get_simulation_size(self):
        return int(self.NN)

    def set_steps(self, value):
        self.n_step = int(value)

    def get_steps(self):
        return self.n_step

    def get_potential_energy(self):
        return self.PE

    def get_kinetic_enregy(self):
        return self.KE

    def get_total_energy(self):
        return (self.PE + self.KE)

    def reset_simulation(self):

        # initialize sine wave in a gaussian envelope
        self.pulse_lambda = 40  # pulse wavelength
        self.pulse_sigma = 50  # pulse width
        self.nc = 100  # starting position
        self.ptot = float(0.0)  # total energy

        self.prl = np.zeros(self.NN, dtype=float)  # real part of the state variable
        self.pim = np.zeros(self.NN, dtype=float)  # imaginary part of the state variable

        for n in range(1, self.NN - 1):
            self.prl[n] = (np.exp(-1 * np.power((n - self.nc) / self.pulse_sigma, 2))
                           * np.cos(2 * np.pi * (n - self.nc) / self.pulse_lambda))
            self.pim[n] = (np.exp(-1 * np.power((n - self.nc) / self.pulse_sigma, 2))
                           * np.sin(2 * np.pi * (n - self.nc) / self.pulse_lambda))
            self.ptot = self.ptot + np.power(self.prl[n], 2) + np.power(self.pim[n], 2)

        self.pnorm = np.sqrt(self.ptot)
        self.ptot = float(0)

        # normalize data
        for n in range(0, self.NN):
            self.prl[n] = self.prl[n] / self.pnorm
            self.pim[n] = self.pim[n] / self.pnorm
            self.ptot = self.ptot + np.power(self.prl[n], 2) + np.power(self.pim[n], 2)
        print("ptot = " + str(self.ptot))

 class fdtdgui:

    def __init__(self):

        self.root = tk.Tk()
        #style.use("dark_background")

        # initialize FDTD simulation
        self.fdtd = fdtd_core()

        # initial geometry
        self.root.geometry("900x500")

        # parameters
        self.plot_auto_number_value = 1

        # menubar
        self.menubar = tk.Menu(self.root)

        # close menu
        self.closemenu = tk.Menu(self.menubar, tearoff=0)
        self.closemenu.add_command(label="Close", command=self.on_closing)
        self.menubar.add_cascade(menu=self.closemenu, label="File")

        # about menu
        self.aboutmenu = tk.Menu(self.menubar, tearoff=0)
        self.aboutmenu.add_command(label="About", command=self.show_about)
        self.menubar.add_cascade(menu=self.aboutmenu, label="About")

        self.root.config(menu=self.menubar)

        # plot figure
        self.frame = tk.Frame(self.root)
        self.fig, self.ax = plt.subplots()
        self.canvas = FigureCanvasTkAgg(self.fig, master=self.frame)
        self.frame.grid(row=0, column=0, rowspan=10, columnspan=1, sticky="nsew")
        self.canvas.get_tk_widget().pack()

        # program name label
        self.name_label_frame = tk.Frame(self.root)
        self.name_label = tk.Label(self.name_label_frame,
                                   text="FDTD Simulation",
                                   font=('Arial', 12, 'bold'))
        self.name_label_frame.grid(row=0, column=1, columnspan=2, sticky="nsew")
        self.name_label.pack(fill=tk.BOTH)

        # plot single button
        self.plot_single_button_frame = tk.Frame(self.root)
        self.plot_single_button = tk.Button(self.plot_single_button_frame,
                                            text="Plot Single",
                                            font=('Arial', 10, 'bold'),
                                            command=self.fdtd_plot_single)
        self.plot_single_button_frame.grid(row=1, column=1, columnspan=2, sticky="nsew")
        self.plot_single_button.pack(fill=tk.BOTH)

        # plot auto button
        self.plot_auto_button_frame = tk.Frame(self.root)
        self.plot_auto_button = tk.Button(self.plot_auto_button_frame,
                                          text="Plot Auto",
                                          font=('Arial', 10, 'bold'),
                                          command=self.fdtd_plot_auto)
        self.plot_auto_button_frame.grid(row=2, column=1, columnspan=2, sticky="nsew")
        self.plot_auto_button.pack(fill=tk.BOTH)

        # plot reset button
        self.plot_reset_button_frame = tk.Frame(self.root)
        self.plot_reset_button = tk.Button(self.plot_reset_button_frame,
                                           text="Reset Simulation",
                                           font=('Arial', 10, 'bold'),
                                           command=self.reset_simulation)
        self.plot_reset_button_frame.grid(row=3, column=1, columnspan=2, sticky="nsew")
        self.plot_reset_button.pack(fill=tk.BOTH)

        # simulation parameters label
        self.label_simulation_parameters_frame = tk.Frame(self.root)
        self.label_simulation_parameters = tk.Label(self.label_simulation_parameters_frame,
                                                    text="Simulation Parameters",
                                                    font=('Arial', 10, 'bold'))
        self.label_simulation_parameters_frame.grid(row=4, column=1, sticky="nsw")
        self.label_simulation_parameters.pack(fill=tk.BOTH)

        # steps label
        self.steps_label_frame = tk.Frame(self.root)
        self.steps_label = tk.Label(self.steps_label_frame,
                                    text="Steps per plot (-):")
        self.steps_label_frame.grid(row=5, column=1, sticky="nsw")
        self.steps_label.pack(fill=tk.BOTH)

        # steps slider
        self.steps_slider_frame = tk.Frame(self.root)
        self.steps_slider = tk.Scale(self.steps_slider_frame,
                                     from_=1, to=1000, orient=tk.HORIZONTAL,
                                     command=self.set_steps)
        self.steps_slider.set(self.get_steps())
        self.steps_slider_frame.grid(row=5, column=2, sticky="nsew")
        self.steps_slider.pack(fill=tk.BOTH)

        # plot auto number label
        self.plot_auto_number_label_frame = tk.Frame(self.root)
        self.plot_auto_number_label = tk.Label(self.plot_auto_number_label_frame, text="Auto Plots (-):")
        self.plot_auto_number_label_frame.grid(row=6, column=1, sticky="nsw")
        self.plot_auto_number_label.pack(fill=tk.BOTH)

        # plot auto number slider
        self.plot_auto_number_slider_frame = tk.Frame(self.root)
        self.plot_auto_number_slider = tk.Scale(self.plot_auto_number_slider_frame,
                                                from_=1, to=100, orient=tk.HORIZONTAL,
                                                command=self.set_plot_auto_number)
        self.plot_auto_number_slider_frame.grid(row=6, column=2, sticky="nsew")
        self.plot_auto_number_slider.pack(fill=tk.BOTH)
    def on_closing(self):
        if messagebox.askyesno(title="Quit?", message="Do you really want to quit?"):
                self.root.destroy()

    def show_about(self):
        messagebox.showinfo(title="About", message="FDTD Simulation, Version 0.0")

    def fdtd_plot_single(self):
        calc = threading.Thread(target=self.fdtd.fdtd_calculation)
        calc.start()
        calc.join()
        x = self.fdtd.get_location()
        prl = self.fdtd.get_real()
        pim = self.fdtd.get_imag()
        ke = self.fdtd.get_kinetic_enregy()
        pe = self.fdtd.get_potential_energy()
        self.ax.clear()
        self.ax.plot(x, prl, label="real")
        self.ax.plot(x, pim, label="imag")
        self.ax.grid(visible=True)
        plt.ylim(-0.15, 0.15)
        plt.legend(loc="upper right")
        plt.xlabel("x (nm)")
        plt.ylabel(r"$\Psi(x)$")
        plt.title("KE = " + f"{ke:.3}" + " eV, PE = " + f"{pe:.3}" + " eV")
        self.canvas.draw()
        self.canvas.flush_events()

    def fdtd_plot_auto(self):
        for m in range(0, self.plot_auto_number_value):
            self.fdtd_plot_single()

    def set_steps(self, value):
        self.fdtd.set_steps(int(value))

    def get_steps(self):
        return self.fdtd.get_steps()

    def set_plot_auto_number(self, value):
        self.plot_auto_number_value = int(value)

    def get_plot_auto_number(self):
        return self.plot_auto_number_value

    def reset_simulation(self):
        self.fdtd.reset_simulation()
        self.fdtd_plot_single()

 app = fdtdgui()
 tk.mainloop()
	import threading

	import time
	import tkinter as tk
	from tkinter import messagebox

	import matplotlib.pyplot as plt
	import numpy as np

	from matplotlib.figure import Figure
	from matplotlib.backends.backend_tkagg import (FigureCanvasTkAgg,
	NavigationToolbar2Tk)
	from matplotlib import animation
	from matplotlib import style

	class fdtd_core:

	def __init__(self):

	# create event to signal computation done
	self.fdtd_new_data = threading.Event()

	# general definitions and constants
	self.h = 6.626e-34 # [J*s] Plank's constant
	self.hbar = self.h / (2 * np.pi) # [J*s] reduced Plank's constant
	self.m0 = 9.1e-31 # [kg] free space mass of electron (rest mass)

	self.meff_Si = 1.08 # [-] effective mass factor of Si
	self.meff_Ge = 0.067 # [-] effective mass factor of Ge
	self.meff_GaAs = 0.55 # [-] effective mass factor of GaAs

	self.meff = self.meff_Si # [m] effective mass
	self.melec = self.meff * self.m0 # [?] mass of an electron
	self.ecoul = 1.6e-19 # [C] charge of an electron
	self.epsz = 8.85e-9 # [A*s/V/m] dielectric of free space
	self.eV2J = 1.6e-19 # [-] energy conversion factor (eV to J)
	self.J2eV = 1 / self.eV2J # [-] energy conversion factor (J to eV)

	# energies
	self.PE = float(0)
	self.KE = float(0)

	# simulation parameters
	self.NN = 400 # [-] number of points in the problem space
	self.del_x = 0.1e-9 # [?] cell size
	self.dt = 2e-17 # [s] time steps
	self.DX = self.del_x * 1e9 # [_] cell size in nm
	self.XX = np.arange(0, self.DX * self.NN, self.DX) # [-] length in nm for plotting
	self.ra = (0.5 * self.hbar / self.melec) * (self.dt / np.power(self.del_x, 2)) # must be < 0.15 for stability

	# define stability threshold
	self.ra_stability_threshold = 0.15

	if (self.ra < self.ra_stability_threshold):
	# stable
	pass
	else:
	# unstable
	print("WARNING: Simulation setting results in unstable results")

	self.V = np.zeros(self.NN, dtype=float)

	# initialize sine wave in a gaussian envelope
	self.pulse_lambda = 40 # pulse wavelength
	self.pulse_sigma = 50 # pulse width
	self.nc = 100 # starting position
	self.ptot = 0.0 # total energy

	self.prl = np.zeros(self.NN, dtype=float) # real part of the state variable
	self.pim = np.zeros(self.NN, dtype=float) # imaginary part of the state variable

	for n in range(1, self.NN - 1):
	self.prl[n] = (np.exp(-1 * np.power((n-self.nc) / self.pulse_sigma, 2))
	* np.cos(2 * np.pi * (n-self.nc) / self.pulse_lambda))
	self.pim[n] = (np.exp(-1 * np.power((n-self.nc) / self.pulse_sigma, 2))
	* np.sin(2 * np.pi * (n-self.nc) / self.pulse_lambda))
	self.ptot = self.ptot + np.power(self.prl[n], 2) + np.power(self.pim[n], 2)

	self.pnorm = np.sqrt(self.ptot)

	# normalize data
	for n in range(1, self.NN):
	self.prl[n] = self.prl[n] / self.pnorm
	self.pim[n] = self.pim[n] / self.pnorm
	self.ptot = self.ptot + np.power(self.prl[n], 2) + np.power(self.pim[n], 2)

	self.XX_copy = self.XX
	self.prl_copy = self.prl
	self.pim_copy = self.pim

	self.T = 0 # absolute time in steps
	self.n_step = 100 # steps per loop
	self.count = 0 # number of loops
	self.nos = 100 # number of timesteps between plots
	self.nop = 3 # number of plots to be made

	def fdtd_calculation(self):

	for m in range(0, self.n_step - 1):
	self.T += 1
	for n in range(1, self.NN - 1):
	self.prl[n] = (self.prl[n]
	- self.ra * (self.pim[n-1] - (2*self.pim[n]) + self.pim[n+1])
	+ (self.dt / self.hbar) * self.V[n] * self.pim[n])

	for n in range(1, self.NN - 1):
	self.pim[n] = (self.pim[n]
	+ self.ra * (self.prl[n-1] - (2*self.prl[n]) + self.prl[n+1])
	- (self.dt/self.hbar) * self.V[n] * self.prl[n])

	# copy data
	self.XX_copy = self.XX
	self.prl_copy = self.prl
	self.pim_copy = self.pim

	# set event so signal computation is completed, new data available
	self.fdtd_new_data.set()

	# calculate energies
	ptot = float(0)
	#PE = float(0)
	psi = (self.prlfloat(0) + 1jself.pim*float(0))
	for n in range(0, self.NN):
	psi[n] = self.prl[n] + 1j*self.pim[n]
	self.PE = np.real(self.PE + (psi[n] * np.conjugate(psi[n]) * self.V[n]))
	self.PE = self.PE * self.J2eV

	ke = float(0) + 1j*float(0)
	for n in range(1, self.NN-1):
	lap_p = psi[n+1] - 2*psi[n] + psi[n-1]
	ke = ke + lap_p*np.conjugate(psi[n])
	self.KE = -self.J2eV( np.power(self.hbar/self.del_x, 2) / (2self.melec)) * np.real(ke)

	def get_location(self):
	return self.XX_copy

	def get_real(self):
	return self.prl_copy

	def get_imag(self):
	return self.pim_copy

	def fdtd_plot(self):
	plt.plot(self.XX, self.prl, 'k-', self.XX, self.pim, 'k--')
	plt.show()

	def check_normalization(self):
	self.norm_limit = (1e-3) * np.array([-1, 1]) + 1
	if (self.ptot > self.norm_limit[0] and self.ptot < self.norm_limit[1]):
	# normalization ok
	pass
	else:
	# normalization not ok
	print("WARNING: Normalization for energy not ok")

	def check_stability(self):
	if (self.ra < self.ra_stability_threshold):
	# stable
	pass
	else:
	# unstable
	print("WARNING: Simulation not stable, check parameters.")

	def set_simulation_size(self, value):
	self.NN = int(value)

	def get_simulation_size(self):
	return int(self.NN)

	def set_steps(self, value):
	self.n_step = int(value)

	def get_steps(self):
	return self.n_step

	def get_potential_energy(self):
	return self.PE

	def get_kinetic_enregy(self):
	return self.KE

	def get_total_energy(self):
	return (self.PE + self.KE)

	def reset_simulation(self):

	# initialize sine wave in a gaussian envelope
	self.pulse_lambda = 40 # pulse wavelength
	self.pulse_sigma = 50 # pulse width
	self.nc = 100 # starting position
	self.ptot = float(0.0) # total energy

	self.prl = np.zeros(self.NN, dtype=float) # real part of the state variable
	self.pim = np.zeros(self.NN, dtype=float) # imaginary part of the state variable

	for n in range(1, self.NN - 1):
	self.prl[n] = (np.exp(-1 * np.power((n - self.nc) / self.pulse_sigma, 2))
	* np.cos(2 * np.pi * (n - self.nc) / self.pulse_lambda))
	self.pim[n] = (np.exp(-1 * np.power((n - self.nc) / self.pulse_sigma, 2))
	* np.sin(2 * np.pi * (n - self.nc) / self.pulse_lambda))
	self.ptot = self.ptot + np.power(self.prl[n], 2) + np.power(self.pim[n], 2)

	self.pnorm = np.sqrt(self.ptot)
	self.ptot = float(0)

	# normalize data
	for n in range(0, self.NN):
	self.prl[n] = self.prl[n] / self.pnorm
	self.pim[n] = self.pim[n] / self.pnorm
	self.ptot = self.ptot + np.power(self.prl[n], 2) + np.power(self.pim[n], 2)
	print("ptot = " + str(self.ptot))

	class fdtdgui:

	def __init__(self):

	self.root = tk.Tk()
	#style.use("dark_background")

	# initialize FDTD simulation
	self.fdtd = fdtd_core()

	# initial geometry
	self.root.geometry("900x500")

	# parameters
	self.plot_auto_number_value = 1

	# menubar
	self.menubar = tk.Menu(self.root)

	# close menu
	self.closemenu = tk.Menu(self.menubar, tearoff=0)
	self.closemenu.add_command(label="Close", command=self.on_closing)
	self.menubar.add_cascade(menu=self.closemenu, label="File")

	# about menu
	self.aboutmenu = tk.Menu(self.menubar, tearoff=0)
	self.aboutmenu.add_command(label="About", command=self.show_about)
	self.menubar.add_cascade(menu=self.aboutmenu, label="About")

	self.root.config(menu=self.menubar)

	# plot figure
	self.frame = tk.Frame(self.root)
	self.fig, self.ax = plt.subplots()
	self.canvas = FigureCanvasTkAgg(self.fig, master=self.frame)
	self.frame.grid(row=0, column=0, rowspan=10, columnspan=1, sticky="nsew")
	self.canvas.get_tk_widget().pack()

	# program name label
	self.name_label_frame = tk.Frame(self.root)
	self.name_label = tk.Label(self.name_label_frame,
	text="FDTD Simulation",
	font=('Arial', 12, 'bold'))
	self.name_label_frame.grid(row=0, column=1, columnspan=2, sticky="nsew")
	self.name_label.pack(fill=tk.BOTH)

	# plot single button
	self.plot_single_button_frame = tk.Frame(self.root)
	self.plot_single_button = tk.Button(self.plot_single_button_frame,
	text="Plot Single",
	font=('Arial', 10, 'bold'),
	command=self.fdtd_plot_single)
	self.plot_single_button_frame.grid(row=1, column=1, columnspan=2, sticky="nsew")
	self.plot_single_button.pack(fill=tk.BOTH)

	# plot auto button
	self.plot_auto_button_frame = tk.Frame(self.root)
	self.plot_auto_button = tk.Button(self.plot_auto_button_frame,
	text="Plot Auto",
	font=('Arial', 10, 'bold'),
	command=self.fdtd_plot_auto)
	self.plot_auto_button_frame.grid(row=2, column=1, columnspan=2, sticky="nsew")
	self.plot_auto_button.pack(fill=tk.BOTH)

	# plot reset button
	self.plot_reset_button_frame = tk.Frame(self.root)
	self.plot_reset_button = tk.Button(self.plot_reset_button_frame,
	text="Reset Simulation",
	font=('Arial', 10, 'bold'),
	command=self.reset_simulation)
	self.plot_reset_button_frame.grid(row=3, column=1, columnspan=2, sticky="nsew")
	self.plot_reset_button.pack(fill=tk.BOTH)

	# simulation parameters label
	self.label_simulation_parameters_frame = tk.Frame(self.root)
	self.label_simulation_parameters = tk.Label(self.label_simulation_parameters_frame,
	text="Simulation Parameters",
	font=('Arial', 10, 'bold'))
	self.label_simulation_parameters_frame.grid(row=4, column=1, sticky="nsw")
	self.label_simulation_parameters.pack(fill=tk.BOTH)

	# steps label
	self.steps_label_frame = tk.Frame(self.root)
	self.steps_label = tk.Label(self.steps_label_frame,
	text="Steps per plot (-):")
	self.steps_label_frame.grid(row=5, column=1, sticky="nsw")
	self.steps_label.pack(fill=tk.BOTH)

	# steps slider
	self.steps_slider_frame = tk.Frame(self.root)
	self.steps_slider = tk.Scale(self.steps_slider_frame,
	from_=1, to=1000, orient=tk.HORIZONTAL,
	command=self.set_steps)
	self.steps_slider.set(self.get_steps())
	self.steps_slider_frame.grid(row=5, column=2, sticky="nsew")
	self.steps_slider.pack(fill=tk.BOTH)

	# plot auto number label
	self.plot_auto_number_label_frame = tk.Frame(self.root)
	self.plot_auto_number_label = tk.Label(self.plot_auto_number_label_frame, text="Auto Plots (-):")
	self.plot_auto_number_label_frame.grid(row=6, column=1, sticky="nsw")
	self.plot_auto_number_label.pack(fill=tk.BOTH)

	# plot auto number slider
	self.plot_auto_number_slider_frame = tk.Frame(self.root)
	self.plot_auto_number_slider = tk.Scale(self.plot_auto_number_slider_frame,
	from_=1, to=100, orient=tk.HORIZONTAL,
	command=self.set_plot_auto_number)
	self.plot_auto_number_slider_frame.grid(row=6, column=2, sticky="nsew")
	self.plot_auto_number_slider.pack(fill=tk.BOTH)
	def on_closing(self):
	if messagebox.askyesno(title="Quit?", message="Do you really want to quit?"):
	self.root.destroy()

	def show_about(self):
	messagebox.showinfo(title="About", message="FDTD Simulation, Version 0.0")

	def fdtd_plot_single(self):
	calc = threading.Thread(target=self.fdtd.fdtd_calculation)
	calc.start()
	calc.join()
	x = self.fdtd.get_location()
	prl = self.fdtd.get_real()
	pim = self.fdtd.get_imag()
	ke = self.fdtd.get_kinetic_enregy()
	pe = self.fdtd.get_potential_energy()
	self.ax.clear()
	self.ax.plot(x, prl, label="real")
	self.ax.plot(x, pim, label="imag")
	self.ax.grid(visible=True)
	plt.ylim(-0.15, 0.15)
	plt.legend(loc="upper right")
	plt.xlabel("x (nm)")
	plt.ylabel(r"$\Psi(x)$")
	plt.title("KE = " + f"{ke:.3}" + " eV, PE = " + f"{pe:.3}" + " eV")
	self.canvas.draw()
	self.canvas.flush_events()

	def fdtd_plot_auto(self):
	for m in range(0, self.plot_auto_number_value):
	self.fdtd_plot_single()

	def set_steps(self, value):
	self.fdtd.set_steps(int(value))

	def get_steps(self):
	return self.fdtd.get_steps()

	def set_plot_auto_number(self, value):
	self.plot_auto_number_value = int(value)

	def get_plot_auto_number(self):
	return self.plot_auto_number_value

	def reset_simulation(self):
	self.fdtd.reset_simulation()
	self.fdtd_plot_single()

	app = fdtdgui()
	tk.mainloop()