raspa-ase

Name	raspa-ase JSON
Version	0.0.2 JSON
	download
home_page	None
Summary	An ASE calculator for the RASPA molecular simulation package.
upload_time	2024-06-26 22:07:56
maintainer	None
docs_url	None
author	None
requires_python	<3.13,>=3.9
license	BSD-3
keywords	raspa ase molecular simulations monte carlo
VCS
bugtrack_url
requirements	No requirements were recorded.
Travis-CI	No Travis.
coveralls test coverage	No coveralls.

            # raspa_ase

[![codecov](https://codecov.io/gh/Quantum-Accelerators/raspa_ase/graph/badge.svg?token=id2iXIabYN)](https://codecov.io/gh/Quantum-Accelerators/raspa_ase)

An Atomic Simulation Environment (ASE) calculator for the [RASPA](https://github.com/iRASPA/RASPA2) molecular simulation code.

## Documentation 📖

<p align="center">
     <a href="https://quantum-accelerators.github.io/raspa_ase/"><b><i>Learn More Here!</i></b></a> 
</p>

            

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