spinguin 0.1.0

Spinguin is an intuitive Python package for versatile numerical spin-dynamics simulations.

Spinguin

Description

Spinguin is a user-friendly Python package designed for versatile numerical spin-dynamics simulations in liquid state. It offers tools for performing simulations using restricted basis sets, enabling the use of large spin systems with more than 10 spins on consumer-level hardware. Spinguin supports the simulation of coherent dynamics, relaxation, and chemical exchange processes.

Documentation

Documentation for the package is available here: https://nmroulu.github.io/Spinguin/

Installation

Spinguin can be installed in various ways, depending on your needs and preferences. You can install it from the Python Package Index (PyPI) or build it from the source code available on GitHub. Below are the instructions for both methods.

Installation from PyPI

Spinguin is available from the Python Package Index (PyPI) repository for Windows and Linux. To install the package, simply issue the command::

pip install spinguin

Installation from source

1. Ensure the build module is installed:

   pip install build
   

2. Download the source code archive (.zip or .tar.gz).
3. Extract the archive (e.g., using 7-Zip).
4. Navigate to the extracted folder:

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

5. Build the wheel from the source:

   python -m build --wheel
   

6. Navigate to the dist folder:

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

7. Install the wheel using pip:

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

License

This project is licensed under the MIT License.