improved readme

README.md

@@ -137,18 +137,18 @@ The GUI allows you to easily explore and utilize the capabilities of the `qDNA`
 
 * **Menu Window:** Access various functionalities from a centralized menu.
 
-![](docs/figures/user_interface_figures/menu_1.png)
+![](docs/figures/user_interface_figures/menu_1_light.png)
 > _Screenshot of the menu of the user interface._
 
 * **Plot Generation:** Create plots effortlessly by submitting your parameters through the GUI.
 
-![](docs/figures/user_interface_figures/plot_1.png)
+![](docs/figures/user_interface_figures/plot_1_light.png)
 > _Plot obtained after pressing the submit button on the menu (see image above)._
 
 * **Calculation Display:** Perform calculations, such as exciton lifetime and average charge separation, and view the results directly within the interface.
 
-![](docs/figures/user_interface_figures/menu3.png)
-> _Screenshot of the menu of the user interface with calculations of the exciton lifetime and average charge separation displayed in the frame on the bottom right._
+![](docs/figures/user_interface_figures/menu_2_light.png){width=70%}
+> _Screenshot of the menu of the user interface with calculations of the exciton lifetime, average charge separation and dipole moment displayed in the frame on the bottom right._
 
 The GUI streamlines the process of working with `qDNA`, making it accessible even to those who may not be familiar with coding. Whether you're generating plots or calculating complex dynamics, the GUI provides a convenient and efficient way to achieve your goals.
 

qDNA/data/logging.log

@@ -5368,3 +5368,19 @@ on
 2024-08-01 14:48:40,338 - qDNA.tools.save_load - INFO - Data saved as C:\Users\Dennis Herb\OneDrive\2_Uni\Doktor\python_projects\QuantumDNA\qDNA\data\raw\test_params\Herb2024_relations_between_persons.json
 2024-08-01 14:48:40,338 - qDNA.tools.save_load - INFO - Data loaded from C:\Users\Dennis Herb\OneDrive\2_Uni\Doktor\python_projects\QuantumDNA\qDNA\data\raw\test_params\Herb2024_relations_between_persons.json
 2024-08-01 14:48:42,442 - qDNA.tools.save_load - INFO - Figure saved as C:\Users\Dennis Herb\OneDrive\2_Uni\Doktor\python_projects\QuantumDNA\qDNA\data\figures\test_plots\test_fourier_version_0.pdf
+2024-08-01 17:57:39,047 - qDNA.tools.save_load - INFO - Data loaded from C:\Users\Dennis Herb\OneDrive\2_Uni\Doktor\python_projects\QuantumDNA\qDNA\data\raw\tb_params\Hawke2010_electron_ELM.json
+2024-08-01 17:57:39,051 - qDNA.tools.save_load - INFO - Data loaded from C:\Users\Dennis Herb\OneDrive\2_Uni\Doktor\python_projects\QuantumDNA\qDNA\data\raw\tb_params\Hawke2010_hole_ELM.json
+2024-08-01 17:59:22,220 - qDNA.tools.save_load - INFO - Data loaded from C:\Users\Dennis Herb\OneDrive\2_Uni\Doktor\python_projects\QuantumDNA\qDNA\data\raw\tb_params\Hawke2010_electron_ELM.json
+2024-08-01 17:59:22,220 - qDNA.tools.save_load - INFO - Data loaded from C:\Users\Dennis Herb\OneDrive\2_Uni\Doktor\python_projects\QuantumDNA\qDNA\data\raw\tb_params\Hawke2010_hole_ELM.json
+2024-08-01 18:01:31,562 - qDNA.tools.save_load - INFO - Data loaded from C:\Users\Dennis Herb\OneDrive\2_Uni\Doktor\python_projects\QuantumDNA\qDNA\data\raw\tb_params\Hawke2010_electron_ELM.json
+2024-08-01 18:01:31,562 - qDNA.tools.save_load - INFO - Data loaded from C:\Users\Dennis Herb\OneDrive\2_Uni\Doktor\python_projects\QuantumDNA\qDNA\data\raw\tb_params\Hawke2010_hole_ELM.json
+2024-08-01 18:03:12,478 - qDNA.tools.save_load - INFO - Data loaded from C:\Users\Dennis Herb\OneDrive\2_Uni\Doktor\python_projects\QuantumDNA\qDNA\data\raw\tb_params\Hawke2010_electron_ELM.json
+2024-08-01 18:03:12,478 - qDNA.tools.save_load - INFO - Data loaded from C:\Users\Dennis Herb\OneDrive\2_Uni\Doktor\python_projects\QuantumDNA\qDNA\data\raw\tb_params\Hawke2010_hole_ELM.json
+2024-08-01 18:03:15,214 - qDNA.tools.save_load - INFO - Data loaded from C:\Users\Dennis Herb\OneDrive\2_Uni\Doktor\python_projects\QuantumDNA\qDNA\data\raw\tb_params\Hawke2010_electron_ELM.json
+2024-08-01 18:03:15,214 - qDNA.tools.save_load - INFO - Data loaded from C:\Users\Dennis Herb\OneDrive\2_Uni\Doktor\python_projects\QuantumDNA\qDNA\data\raw\tb_params\Hawke2010_hole_ELM.json
+2024-08-01 18:03:17,265 - qDNA.tools.save_load - INFO - Data loaded from C:\Users\Dennis Herb\OneDrive\2_Uni\Doktor\python_projects\QuantumDNA\qDNA\data\raw\tb_params\Hawke2010_electron_ELM.json
+2024-08-01 18:03:17,265 - qDNA.tools.save_load - INFO - Data loaded from C:\Users\Dennis Herb\OneDrive\2_Uni\Doktor\python_projects\QuantumDNA\qDNA\data\raw\tb_params\Hawke2010_hole_ELM.json
+2024-08-01 18:03:20,210 - qDNA.tools.save_load - INFO - Data loaded from C:\Users\Dennis Herb\OneDrive\2_Uni\Doktor\python_projects\QuantumDNA\qDNA\data\raw\tb_params\Hawke2010_electron_ELM.json
+2024-08-01 18:03:20,210 - qDNA.tools.save_load - INFO - Data loaded from C:\Users\Dennis Herb\OneDrive\2_Uni\Doktor\python_projects\QuantumDNA\qDNA\data\raw\tb_params\Hawke2010_hole_ELM.json
+2024-08-01 18:05:08,055 - qDNA.tools.save_load - INFO - Data loaded from C:\Users\Dennis Herb\OneDrive\2_Uni\Doktor\python_projects\QuantumDNA\qDNA\data\raw\tb_params\Hawke2010_electron_ELM.json
+2024-08-01 18:05:08,056 - qDNA.tools.save_load - INFO - Data loaded from C:\Users\Dennis Herb\OneDrive\2_Uni\Doktor\python_projects\QuantumDNA\qDNA\data\raw\tb_params\Hawke2010_hole_ELM.json

qDNA/gui/qdna_app.py

@@ -186,17 +186,17 @@ def submit(self):
 
  def enable_initial_frame(self):
  self.initial_frame.change_state("normal")
- self.options_frame.change_state("disabled")
- self.plot_options_frame.change_state("disabled")
+ # self.options_frame.change_state("disabled")
+ # self.plot_options_frame.change_state("disabled")
 
  def enable_options_frame(self):
- self.initial_frame.change_state("disabled")
+ # self.initial_frame.change_state("disabled")
  self.options_frame.change_state("normal")
- self.plot_options_frame.change_state("disabled")
+ # self.plot_options_frame.change_state("disabled")
 
  def enable_plotting_frame(self):
- self.initial_frame.change_state("disabled")
- self.options_frame.change_state("disabled")
+ # self.initial_frame.change_state("disabled")
+ # self.options_frame.change_state("disabled")
  self.plot_options_frame.change_state("normal")