hardspheres-2d 0.1.0

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Hard Spheres in 2d

Simulating hard spheres in two dimensions using event driven molecular dynamics and visualizing rotational symmetry using psi-6.

Setup

git clone
cd hardspheres-2d
uv sync

For the installation of uv see here.

Note: this project uses Rust 1.82. So you may need to install the rust toolchain.

How to use

Command Line

To run the event driven molecular dynamics simulation from your command line you can check out

uv run hardspheres2d --help

Notebook

Alternatively, the notebook ./melting-hard-sphere-hexagons.ipynb contains all the steps to set up and run event driven molecular dynamcis on your machine. As well as some sanity checks to better understand what is going on.

To visualize the dynamics you may want to install ovito. The base version is sufficient.

Developing

During your rust edits you want to update your build artefacts so you can use them from python / a notebook. For this please use

make update