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A small molecular magnetism related package.

Project description


PyPI Downloads License: GPL v3 GitHub Releases Stack Overflow Journal Paper

SlothPy is a comprehensive package for computational molecular magnetism.

SlothPy

SlothPy aims to become a comprehensive software package for computational molecular magnetism. It is designed to provide flexible, interactive computing environment for researchers in the field.

Features

  • Interactive scripting via Jupyter Notebooks or terminal.
  • Customizable workflows with JIT compilation and parallelism for performance.
  • Extensible to integrate with MOLCAS, ORCA, and other chemistry software.
  • Visual tools for data analysis and interpretation.

Installation

pip install slothpy

For detailed installation instructions, please refer to the Installation Guide.

Usage

Start with importing SlothPy:

import slothpy as slt

and see your How to Start for various tutorials.

Documentation

For comprehensive guides and tutorials, visit our documentation.

How to Cite

If you use SlothPy in your research, please cite it as follows:

Authors. (Year). "Title of the Paper." Journal Name, Volume(Issue), pages. DOI: DOI Number

Contributing

We welcome contributions in the form of issue reports, pull requests and suggestions send directly via e-mail. Please see our About section.

License

SlothPy is distributed under the GPL-3.0 license. See the LICENSE file for more information.

Contact

For questions and feedback, please contact mikolaj.zychowicz@uj.edu.pl.

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