Installation

Automatic installation is available via pip.

pip install findtde

We recommend creating a virtual environment through Conda to manage all necessary packages. If you plan to use LAMMPS to perform calculations, you can install with Conda in the same environment.

conda create -n findtde python=3.12.8
conda activate findtde
pip install findtde
conda install lammps

Alternatively, it can be installed for development purposes by cloning the GitHub repository.

git clone https://github.com/hauck-as/findTDE
cd findTDE
pip install -e .