Method 1: Use Pip

The easiest way to install aimsgb is to simply run a one-liner in pip:

pip install aimsgb

Method 2: Use Git to install

  1. Clone the latest version from github:

    git clone
  2. Navigate to aimsgb folder:

    cd aimsgb
  3. Type in the root of the repo:

    pip install .
  4. or to install the package in development mode:

    pip install -e .

How to cite aimsgb

If you use aimsgb in your research, please consider citing the following work:

Jianli Cheng, Jian Luo, Kesong Yang. Aimsgb: An algorithm and open-source python library to generate periodic grain boundary structures. Computational Materials Science, 2018, 155, 92-103. doi:10.1016/j.commatsci.2018.08.029