Dependencies
- Python3
- Atooms
The necessary libraries are included in requirements.txt. To automatically install all the packages, run
pip install -r requirements.txt
Getting Started
First, add the submodule:
git submodule init
git submodule update
Then, try running
python run_sim.py
This should write three files, a trajectory log ending in .xyz, a log of how
many particles were in each region ending in .csv, and a video of the
simulation, ending in .mp4.