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🚀 Release v0.1.0 (#86)
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README.md

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# `aiida-hubbard`
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AiiDA plugin for the Hubbard module of Quantum ESPRESSO.
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The plugin requires HP v7.2 or above and is not compatible with older versions.
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AiiDA plugin for the first-principles calculation of Hubbard parameters.
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This is the official AiiDA plugin for the [HP](https://www.sciencedirect.com/science/article/pii/S0010465522001746) code of [Quantum ESPRESSO](https://www.quantum-espresso.org/).
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This is also the official AiiDA plugin for the [HP](https://www.sciencedirect.com/science/article/pii/S0010465522001746) code of [Quantum ESPRESSO](https://www.quantum-espresso.org/).
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| | |
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|-----|----------------------------------------------------------------------------|
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|Latest release| [![PyPI version](https://badge.fury.io/py/aiida-hubbard.svg)](https://badge.fury.io/py/aiida-hubbard)[![PyPI pyversions](https://img.shields.io/pypi/pyversions/aiida-hubbard.svg)](https://pypi.python.org/pypi/aiida-hubbard) |
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|Getting help| [![Docs status](https://readthedocs.org/projects/aiida-hubbard/badge)](http://aiida-hubbard.readthedocs.io/) [![Discourse status](https://img.shields.io/discourse/status?server=https%3A%2F%2Faiida.discourse.group%2F)](https://aiida.discourse.group/)
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|Build status| [![Build Status](https://github.com/aiidateam/aiida-hubbard/actions/workflows/ci.yml/badge.svg?branch=master)](https://github.com/aiidateam/aiida-hubbard/actions) [![Coverage Status](https://codecov.io/gh/aiidateam/aiida-hubbard/branch/master/graph/badge.svg)](https://codecov.io/gh/aiidateam/aiida-hubbard) |
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|Activity| [![PyPI-downloads](https://img.shields.io/pypi/dm/aiida-hubbard.svg?style=flat)](https://pypistats.org/packages/aiida-hubbard) [![Commit Activity](https://img.shields.io/github/commit-activity/m/aiidateam/aiida-hubbard.svg)](https://github.com/aiidateam/aiida-hubbard/pulse)
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|Community| [![Discourse](https://img.shields.io/discourse/topics?server=https%3A%2F%2Faiida.discourse.group%2F&logo=discourse)](https://aiida.discourse.group/)
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## Compatibility matrix
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The matrix below assumes the user always install the latest patch release of the specified minor version, which is recommended.
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| Plugin | AiiDA | Python | Quantum ESPRESSO |
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|-|-|-|-|
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| `v0.1.0` | ![Compatibility for v4.0][AiiDA v4.0-pydantic2] | [![PyPI pyversions](https://img.shields.io/pypi/pyversions/aiida-quantumespresso.svg)](https://pypi.python.org/pypi/aiida-quantumespresso) | ![Quantum ESPRESSO compatibility][QE v7.2-7.4] |
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| `v0.1.0` | ![Compatibility for v4.0][AiiDA v4.0-pydantic2] | [![PyPI pyversions](https://img.shields.io/pypi/pyversions/aiida-hubbard.svg)](https://pypi.python.org/pypi/aiida-hubbard) | ![Quantum ESPRESSO compatibility][QE v7.2-7.4] |
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## Installation
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To install using pip, simply execute:
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pip install git+https://github.com/aiidateam/aiida-hubbard
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pip install aiida-hubbard
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or when installing from source:
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docs/source/index.md

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# AiiDA Hubbard
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An AiiDA plugin package for the calculation of Hubbard parameters from first-principles using the [Quantum ESPRESSO](http://www.quantumespresso.org) and HP software suite. Compute onsites and intersites Hubbard parameters self-consistently and in automated fashion through state-of-the-art DFPT implementation, leveraging maximal parallel computation over atoms and monochromatic perturbations, along with data provenance provided by AiiDA.
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An AiiDA plugin package for the calculation of Hubbard parameters from first-principles using the [Quantum ESPRESSO](http://www.quantumespresso.org) and [HP](https://www.sciencedirect.com/science/article/pii/S0010465522001746) software suite. Compute onsites and intersites Hubbard parameters self-consistently and in automated fashion through state-of-the-art DFPT implementation, leveraging maximal parallel computation over atoms and monochromatic perturbations, along with data provenance provided by AiiDA.
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**aiida-hubbard version:** {{ release }}
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[![PyPI version](https://badge.fury.io/py/aiida-hubbard.svg)](https://badge.fury.io/py/aiida-hubbard)
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[![PyPI pyversions](https://img.shields.io/pypi/pyversions/aiida-hubbard.svg)](https://pypi.python.org/pypi/aiida-hubbard)
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[![Build Status](https://github.com/aiidateam/aiida-hubbard/actions/workflows/ci.yml/badge.svg?branch=master)](https://github.com/aiidateam/aiida-hubbard/actions)
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[![Docs status](https://readthedocs.org/projects/aiida-hubbard/badge)](http://aiida-hubbard.readthedocs.io/)
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______________________________________________________________________
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pyproject.toml

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name = 'aiida-hubbard'
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dynamic = ['description', 'version']
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authors = [
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{name = 'Sebastiaan P. Huber', email = 'mail@sphuber.net'},
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{name = 'Lorenzo Bastonero', email = 'lbastone@uni-bremen.de'}
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{name = 'Lorenzo Bastonero', email = 'lbastone@uni-bremen.de'},
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{name = 'Sebastiaan P. Huber', email = 'mail@sphuber.net'}
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]
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readme = 'README.md'
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license = {file = 'LICENSE.txt'}
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classifiers = [
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'Development Status :: 4 - Beta',
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'Development Status :: 5 - Production/Stable',
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'Framework :: AiiDA',
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'License :: Free To Use But Restricted',
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'Operating System :: POSIX :: Linux',

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