Spinguin

Description

Spinguin is a user-friendly Python package for versatile numerical spin-dynamics simulations in the liquid state. It provides tools for coherent dynamics, relaxation, and chemical-exchange simulations, and it supports restricted basis sets in Liouville space. This makes it possible to study spin systems with more than 10 spins on consumer-level hardware.

Documentation

The full documentation is available at https://nmroulu.github.io/Spinguin/.

Installation

Spinguin can be installed either from the Python Package Index (PyPI) or from source.

Installation from PyPI

Spinguin is available on PyPI for Windows and Linux. Install it with:

pip install spinguin

Installation from source

1. Ensure that the build module is installed:

   pip install build

2. Download the source archive (.zip or .tar.gz).

3. Extract the archive.

4. Navigate to the extracted source directory:

   cd /your/path/spinguin-X.Y.Z

5. Build the wheel:

   python -m build --wheel

6. Navigate to the dist directory:

   cd /your/path/spinguin-X.Y.Z/dist

7. Install the generated wheel with pip:

   pip install spinguin-X.Y.Z-cpXYZ-cpXYZ-PLATFORM.whl

License

This project is licensed under the MIT License.