Alkane Isomer Simulation

This project simulates the generation and exploration of isomers of alkanes.

Requirements

• Python 3.x
• NumPy (for numerical operations)
• No additional dependencies required beyond standard Python libraries.

Installation

1. Clone the repository:

   git clone https://github.com/tuteng0915/alkane_isomer.git

2. Navigate into the project directory:

    cd alkane_isomer

3. Install dependencies

    pip install numpy

Usage

1. Run the program:

   python main.py

2. Results will be saved in output.txt.

Citation

If you use this code or refer to this project in your work, please cite it as follows:

@misc{teng2025alkane,
  author = {Teng Tu. and Hongxiang Zhao and Chongkun Deng},
  title = {Alkane Isomer Simulation},
  year = {2025},
  howpublished = {\url{https://github.com/yourusername/alkane-isomer-simulation}},
  note = {Accessed: 2025-01-19}
}

Contributing

If you'd like to contribute to this project, feel free to submit a pull request. If you find any bugs or issues, please open an issue on the repository.