Name | aiida-vibroscopy JSON |
Version |
1.1.0
JSON |
| download |
home_page | None |
Summary | AiiDA plugin for vibrational spectoscopy using Quantum ESPRESSO. |
upload_time | 2024-03-01 10:20:18 |
maintainer | None |
docs_url | None |
author | None |
requires_python | >=3.8 |
license | None |
keywords |
aiida
workflows
|
VCS |
|
bugtrack_url |
|
requirements |
No requirements were recorded.
|
Travis-CI |
No Travis.
|
coveralls test coverage |
No coveralls.
|
# aiida-vibroscopy
AiiDA plugin that uses finite displacements and fields
to compute phonon properties, dielectric, Born effective charges,
Raman and non-linear optical susceptibility tensors,
coming with lots of post-processing tools to compute infrared and
Raman spectra in different settings.
| | |
|-----|----------------------------------------------------------------------------|
|Latest release| [![PyPI version](https://badge.fury.io/py/aiida-vibroscopy.svg)](https://badge.fury.io/py/aiida-vibroscopy)[![PyPI pyversions](https://img.shields.io/pypi/pyversions/aiida-vibroscopy.svg)](https://pypi.python.org/pypi/aiida-vibroscopy) |
|Getting help| [![Docs status](https://readthedocs.org/projects/aiida-vibroscopy/badge)](http://aiida-vibroscopy.readthedocs.io/) [![Discourse status](https://img.shields.io/discourse/status?server=https%3A%2F%2Faiida.discourse.group%2F)](https://aiida.discourse.group/)
|Build status| [![Build Status](https://github.com/bastonero/aiida-vibroscopy/actions/workflows/ci.yml/badge.svg?branch=main)](https://github.com/bastonero/aiida-vibroscopy/actions) [![Coverage Status](https://codecov.io/gh/bastonero/aiida-vibroscopy/branch/main/graph/badge.svg)](https://codecov.io/gh/bastonero/aiida-vibroscopy) |
|Activity| [![PyPI-downloads](https://img.shields.io/pypi/dm/aiida-vibroscopy.svg?style=flat)](https://pypistats.org/packages/aiida-vibroscopy) [![Commit Activity](https://img.shields.io/github/commit-activity/m/bastonero/aiida-vibroscopy.svg)](https://github.com/bastonero/aiida-vibroscopy/pulse)
|Community| [![Discourse](https://img.shields.io/discourse/topics?server=https%3A%2F%2Faiida.discourse.group%2F&logo=discourse)](https://aiida.discourse.group/)
## Installation
To install from PyPI, simply execute:
pip install aiida-vibroscopy
or when installing from source:
git clone https://github.com/bastonero/aiida-vibrosopy
pip install .
## License
The `aiida-vibroscopy` plugin package is released under a special academic license.
See the `LICENSE.txt` file for more details.
## Acknowlegements
We acknowledge support from:
* the [U Bremen Excellence Chairs](https://www.uni-bremen.de/u-bremen-excellence-chairs) program funded within the scope of the [Excellence Strategy of Germany’s federal and state governments](https://www.dfg.de/en/research_funding/excellence_strategy/index.html);
* the [MAPEX](https://www.uni-bremen.de/en/mapex) Center for Materials and Processes.
<img src="https://raw.githubusercontent.com/aiida-phonopy/aiida-phonopy/main/docs/source/images/UBREMEN.png" width="300px" height="108px"/>
<img src="https://raw.githubusercontent.com/aiida-phonopy/aiida-phonopy/main/docs/source/images/MAPEX.jpg" width="300px" height="99px"/>
Raw data
{
"_id": null,
"home_page": null,
"name": "aiida-vibroscopy",
"maintainer": null,
"docs_url": null,
"requires_python": ">=3.8",
"maintainer_email": null,
"keywords": "aiida,workflows",
"author": null,
"author_email": "Lorenzo Bastonero <bastonero.lorenzo@gmail.com>",
"download_url": "https://files.pythonhosted.org/packages/18/32/ee3d64e5e333b0fb26b1e0b8b206397f07b870669535d1bfb1897b4d9fc4/aiida_vibroscopy-1.1.0.tar.gz",
"platform": null,
"description": "# aiida-vibroscopy\n\nAiiDA plugin that uses finite displacements and fields\nto compute phonon properties, dielectric, Born effective charges,\n Raman and non-linear optical susceptibility tensors,\ncoming with lots of post-processing tools to compute infrared and\nRaman spectra in different settings.\n\n| | |\n|-----|----------------------------------------------------------------------------|\n|Latest release| [![PyPI version](https://badge.fury.io/py/aiida-vibroscopy.svg)](https://badge.fury.io/py/aiida-vibroscopy)[![PyPI pyversions](https://img.shields.io/pypi/pyversions/aiida-vibroscopy.svg)](https://pypi.python.org/pypi/aiida-vibroscopy) |\n|Getting help| [![Docs status](https://readthedocs.org/projects/aiida-vibroscopy/badge)](http://aiida-vibroscopy.readthedocs.io/) [![Discourse status](https://img.shields.io/discourse/status?server=https%3A%2F%2Faiida.discourse.group%2F)](https://aiida.discourse.group/)\n|Build status| [![Build Status](https://github.com/bastonero/aiida-vibroscopy/actions/workflows/ci.yml/badge.svg?branch=main)](https://github.com/bastonero/aiida-vibroscopy/actions) [![Coverage Status](https://codecov.io/gh/bastonero/aiida-vibroscopy/branch/main/graph/badge.svg)](https://codecov.io/gh/bastonero/aiida-vibroscopy) |\n|Activity| [![PyPI-downloads](https://img.shields.io/pypi/dm/aiida-vibroscopy.svg?style=flat)](https://pypistats.org/packages/aiida-vibroscopy) [![Commit Activity](https://img.shields.io/github/commit-activity/m/bastonero/aiida-vibroscopy.svg)](https://github.com/bastonero/aiida-vibroscopy/pulse)\n|Community| [![Discourse](https://img.shields.io/discourse/topics?server=https%3A%2F%2Faiida.discourse.group%2F&logo=discourse)](https://aiida.discourse.group/)\n\n## Installation\nTo install from PyPI, simply execute:\n\n pip install aiida-vibroscopy\n\nor when installing from source:\n\n git clone https://github.com/bastonero/aiida-vibrosopy\n pip install .\n\n## License\nThe `aiida-vibroscopy` plugin package is released under a special academic license.\nSee the `LICENSE.txt` file for more details.\n\n\n## Acknowlegements\nWe acknowledge support from:\n* the [U Bremen Excellence Chairs](https://www.uni-bremen.de/u-bremen-excellence-chairs) program funded within the scope of the [Excellence Strategy of Germany\u2019s federal and state governments](https://www.dfg.de/en/research_funding/excellence_strategy/index.html);\n* the [MAPEX](https://www.uni-bremen.de/en/mapex) Center for Materials and Processes.\n\n<img src=\"https://raw.githubusercontent.com/aiida-phonopy/aiida-phonopy/main/docs/source/images/UBREMEN.png\" width=\"300px\" height=\"108px\"/>\n<img src=\"https://raw.githubusercontent.com/aiida-phonopy/aiida-phonopy/main/docs/source/images/MAPEX.jpg\" width=\"300px\" height=\"99px\"/>\n",
"bugtrack_url": null,
"license": null,
"summary": "AiiDA plugin for vibrational spectoscopy using Quantum ESPRESSO.",
"version": "1.1.0",
"project_urls": {
"Source": "https://github.com/bastonero/aiida-vibroscopy"
},
"split_keywords": [
"aiida",
"workflows"
],
"urls": [
{
"comment_text": null,
"digests": {
"blake2b_256": "2bac83223627f7340c40570342da0eac06534ca81509625af184f3f5047d17e8",
"md5": "5e6af8899807862da0b5a743f9320347",
"sha256": "dd3de73d331945a27c1ab2d8658331a0671782bbc7b480401c41a10199e1618c"
},
"downloads": -1,
"filename": "aiida_vibroscopy-1.1.0-py3-none-any.whl",
"has_sig": false,
"md5_digest": "5e6af8899807862da0b5a743f9320347",
"packagetype": "bdist_wheel",
"python_version": "py3",
"requires_python": ">=3.8",
"size": 121066,
"upload_time": "2024-03-01T10:20:15",
"upload_time_iso_8601": "2024-03-01T10:20:15.691600Z",
"url": "https://files.pythonhosted.org/packages/2b/ac/83223627f7340c40570342da0eac06534ca81509625af184f3f5047d17e8/aiida_vibroscopy-1.1.0-py3-none-any.whl",
"yanked": false,
"yanked_reason": null
},
{
"comment_text": null,
"digests": {
"blake2b_256": "1832ee3d64e5e333b0fb26b1e0b8b206397f07b870669535d1bfb1897b4d9fc4",
"md5": "c3bb7fb59cdb52ffb1fb2e5d241e817a",
"sha256": "954c446cea9262f15c5e98f0823498f57c1e246501ddd1f7921d834b3c0b91a4"
},
"downloads": -1,
"filename": "aiida_vibroscopy-1.1.0.tar.gz",
"has_sig": false,
"md5_digest": "c3bb7fb59cdb52ffb1fb2e5d241e817a",
"packagetype": "sdist",
"python_version": "source",
"requires_python": ">=3.8",
"size": 97461,
"upload_time": "2024-03-01T10:20:18",
"upload_time_iso_8601": "2024-03-01T10:20:18.224180Z",
"url": "https://files.pythonhosted.org/packages/18/32/ee3d64e5e333b0fb26b1e0b8b206397f07b870669535d1bfb1897b4d9fc4/aiida_vibroscopy-1.1.0.tar.gz",
"yanked": false,
"yanked_reason": null
}
],
"upload_time": "2024-03-01 10:20:18",
"github": true,
"gitlab": false,
"bitbucket": false,
"codeberg": false,
"github_user": "bastonero",
"github_project": "aiida-vibroscopy",
"travis_ci": false,
"coveralls": false,
"github_actions": true,
"lcname": "aiida-vibroscopy"
}