https://github.com/eschmidt42/hardspheres-2d

Simulating hard spheres in two dimensions using event driven molecular dynamics and visualizing rotational symmetry using psi-6.
https://github.com/eschmidt42/hardspheres-2d

2d hard-spheres physics python rust symmetry uv

Last synced: 2 months ago
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Simulating hard spheres in two dimensions using event driven molecular dynamics and visualizing rotational symmetry using psi-6.

• Host: GitHub
• URL: https://github.com/eschmidt42/hardspheres-2d
• Owner: eschmidt42
• License: mit
• Created: 2025-03-20T12:25:33.000Z (over 1 year ago)
• Default Branch: main
• Last Pushed: 2025-03-21T10:19:45.000Z (over 1 year ago)
• Last Synced: 2025-10-30T08:51:01.497Z (8 months ago)
• Topics: 2d, hard-spheres, physics, python, rust, symmetry, uv
• Language: Jupyter Notebook
• Homepage:
• Size: 3.02 MB
• Stars: 0
• Watchers: 1
• Forks: 0
• Open Issues: 0
• Metadata Files:
  • Readme: README.md
  • License: LICENSE

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README

          
# Hard Spheres in 2d

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

![Melting hexagon of hard spheres](./melting-hexagon.gif)

## Quickstart

    uvx --from hardspheres-2d hardspheres2d --help

## Setup to develop

    git clone https://github.com/eschmidt42/hardspheres-2d.git

    cd hardspheres-2d

    uv sync

For the installation of uv see [here](https://docs.astral.sh/uv/getting-started/installation/).

Note: this project uses Rust 1.82. So you may need to [install the rust toolchain](https://www.rust-lang.org/tools/install).

## How to use

### Command Line

To run the event driven molecular dynamics simulation from your command line within the project 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](https://www.ovito.org). 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 you can use

    make update