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Twisted Heterostructure Generation Toolkit

A Python-based solution for generating twisted heterostructures through both a Command-Line Interface (CLI) and a Graphical User Interface (GUI). Whether you are a researcher, student, or hobbyist interested in the fascinating world of moiré patterns, this toolkit is designed to provide a flexible and user-friendly approach to exploring these patterns.

Only first-order moirés are considered for direct comparison of different twist angles. Please check 2012 J. Phys.: Condens. Matter 24 314210 for theoretical background.

Features

  • CLI Tool (twist_cli.py): generate structures through your terminal or command prompt.
  • GUI Tool (twist_gui.py): an user-friendly interface, allowing for interactive adjustments and real-time visualization.

Installation

  1. Set Up Environment: It is recommended to create a new Conda environment for running this project to avoid any conflicts with existing packages. You can create a new environment with Python 3.12 as follows:
conda create --name moire_env python=3.12 pip
conda activate moire_env
  1. Install the Package Directly from GitHub:
pip install git+https://github.com/i-wli/twistHS.git

2.1 Development Installation with source code:

git clone https://github.com/i-wli/twistHS.git
cd twistHS
pip install .

Usage

Option 1. Using the CLI Tool (twist_cli.py)

Open your command-line interface and run:

twist_cli [options]

This should open a matplotlib interface: image

Option 2. Using the GUI Tool (twist_gui.py)

To launch the GUI, simply run:

twist_gui

Once the GUI is open, you should see: image

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