This is a repo showing how to compute defect counts in 3D using OVITO. make-config.py is the script that creates the configuration we want to analyze, and main.py computes the vacancy count in that configuration using OVITO's polyhedral template matching and cluster analysis modifiers. make-config.py is just a script that replaces a simulation.
Download the repo, create a virtual environment, and install the dependencies
git clone https://github.com/MUEXLY/defect-counts.git
cd defect-counts/
python -m venv venv
source venv/bin/activate
pip install -r requirements.txtpython main.py