PyLJFluid - Classical Fluids Simulations Using Python

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Classical fluids simulations using Python.
Reproduces the classic Lennard-Jones fluid experiments (Verlet-style molecular dynamics).

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Building and Installing (macOS + Homebrew)

These instructions describe how to build and install the project locally using Homebrew Python on macOS.

The package contains C extensions and optionally Cython, so a working compiler toolchain is required.

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1. Install system dependencies

Install Apple’s compiler tools and Homebrew Python.

xcode-select --install
brew update
brew install python@3.14

Create a virtual environment and activate it in the project directory.

python3 -m venv .venv
source .venv/bin/activate

Install the required Python dependencies for building and installing the package.

python -m pip install --upgrade pip setuptools wheel build numpy cython matplotlib

Build and install the package

python -m pip install .

License

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PyLJFluid is Licensed under the permissive Apache Licensed. See included LICENSE file.