Installation

It is recommended to first set up a virtual environment using Conda:

conda create -n dfttk python=3.12
conda activate dfttk

Clone the main branch of the repository:

git clone https://github.com/PhasesResearchLab/dfttk.git

Or clone a specific branch:

git clone -b <branch_name> https://github.com/PhasesResearchLab/dfttk.git

Then move to the dfttk directory and install in editable (-e) mode:

cd dfttk
pip install -e .