| Name | pydipole JSON |
| Version |
0.0.1
JSON |
| download |
| home_page | None |
| Summary | Table of dipole polarizaility for atom with Z=1 to 120 |
| upload_time | 2024-11-03 11:22:53 |
| maintainer | None |
| docs_url | None |
| author | None |
| requires_python | >=3.8 |
| license | None |
| keywords |
dipole polarizability
periodic table
|
| VCS |
 |
| bugtrack_url |
|
| requirements |
No requirements were recorded.
|
| Travis-CI |
No Travis.
|
| coveralls test coverage |
No coveralls.
|
# Pydipole
[](https://docs.python.org/3.8/)
[](https://docs.python.org/3.9/)
[](https://docs.python.org/3.10/)
[](https://docs.python.org/3.11/)
[](https://docs.python.org/3.12/)
<div align="center">
<img src="./docs/pydipole.svg" width="150px" />
</div>
[`Pydipole`](https://github.com/AtomPolarTable/dipole-polarizability) is a Python package to maintain Table of atomic dipole polarizability for neutural atoms in the Periodic Table.
This version contains contributions from:
Peter Schwerdtfeger (1)
Jeffrey K. Nagle (2)
YingXing Cheng (3),
- (1) Centre for Theoretical Chemistry and Physics, Massey University, Auckland, New Zealand.
- (2) Department of Chemistry, Bowdoin College, Brunswick, ME, USA.
- (3) Numerical Mathematics for High-Performance Computing (NMH), University of Stuttgart, Stuttgart, Germany.
The `pydipole` source code is hosted on GitHub and is released under the GNU General Public License v3.0.
Please report any issues you encounter while using the `pydipole` library on [GitHub Issues](https://github.com/AtomPolarTable/dipole-polarizability/issues/new).
For further information and inquiries, please contact us at yxcheng2buaa@gmail.com.
## Tables
- The 2023 Table is available [here](https://github.com/AtomPolarTable/dipole-polarizability/blob/main/tables/2023/main.pdf).
## License
`pydipole` is distributed under GPL License version 3 (GPLv3).
## Dependencies
The following dependencies will be necessary for `pydipole` to build properly,
* pandas : https://github.com/pandas-dev/pandas
## Installation
To install `pydipole` with version `0.0.x`:
```bash
pip install pydipole
```
To install latest `pydipole`:
```bash
git clone http://github.com/AtomPolarTable/dipole-polarizability
cd dipole-polarizability
pip install .
```
To run test, one needs to add tests dependencies for `tests`:
```bash
pip install .[tests]
```
For developers, one could need all dependencies:
```bash
pip install -e .[dev,tests]
```
## Citations
Please use the following citations in any publication using `pydipole` library:
[1] Schwerdtfeger, P.; Nagle, J. K.
**2018 Table of static dipole polarizabilities of the neutral elements in the periodic table.**
Molecular Physics 2019, 117 (9-12), 1200–1225.
[](https://doi.org/10.1080/00268976.2018.1535143)
Raw data
{
"_id": null,
"home_page": null,
"name": "pydipole",
"maintainer": null,
"docs_url": null,
"requires_python": ">=3.8",
"maintainer_email": "YingXing Cheng <yxcheng2buaa@gmail.com>",
"keywords": "dipole polarizability, periodic table",
"author": null,
"author_email": "YingXing Cheng <yingxing.cheng@ugent.be>",
"download_url": "https://files.pythonhosted.org/packages/64/b8/a8e167a0a316af68290f7dd29dd61ca888860af0f45ddd3cfb361316b529/pydipole-0.0.1.tar.gz",
"platform": null,
"description": "# Pydipole\n[](https://docs.python.org/3.8/)\n[](https://docs.python.org/3.9/)\n[](https://docs.python.org/3.10/)\n[](https://docs.python.org/3.11/)\n[](https://docs.python.org/3.12/)\n\n<div align=\"center\">\n <img src=\"./docs/pydipole.svg\" width=\"150px\" />\n</div>\n\n[`Pydipole`](https://github.com/AtomPolarTable/dipole-polarizability) is a Python package to maintain Table of atomic dipole polarizability for neutural atoms in the Periodic Table.\n\nThis version contains contributions from:\nPeter Schwerdtfeger (1)\nJeffrey K. Nagle (2)\nYingXing Cheng (3),\n\n- (1) Centre for Theoretical Chemistry and Physics, Massey University, Auckland, New Zealand.\n- (2) Department of Chemistry, Bowdoin College, Brunswick, ME, USA.\n- (3) Numerical Mathematics for High-Performance Computing (NMH), University of Stuttgart, Stuttgart, Germany.\n\nThe `pydipole` source code is hosted on GitHub and is released under the GNU General Public License v3.0.\nPlease report any issues you encounter while using the `pydipole` library on [GitHub Issues](https://github.com/AtomPolarTable/dipole-polarizability/issues/new).\nFor further information and inquiries, please contact us at yxcheng2buaa@gmail.com.\n\n## Tables\n\n- The 2023 Table is available [here](https://github.com/AtomPolarTable/dipole-polarizability/blob/main/tables/2023/main.pdf).\n\n## License\n\n\n\n\n`pydipole` is distributed under GPL License version 3 (GPLv3).\n\n## Dependencies\n\nThe following dependencies will be necessary for `pydipole` to build properly,\n\n* pandas : https://github.com/pandas-dev/pandas\n\n\n## Installation\n\nTo install `pydipole` with version `0.0.x`:\n\n```bash\npip install pydipole\n```\n\nTo install latest `pydipole`:\n\n```bash\ngit clone http://github.com/AtomPolarTable/dipole-polarizability\ncd dipole-polarizability\npip install .\n```\n\nTo run test, one needs to add tests dependencies for `tests`:\n\n```bash\npip install .[tests]\n```\n\nFor developers, one could need all dependencies:\n```bash\npip install -e .[dev,tests]\n```\n\n## Citations\n\nPlease use the following citations in any publication using `pydipole` library:\n\n[1] Schwerdtfeger, P.; Nagle, J. K.\n**2018 Table of static dipole polarizabilities of the neutral elements in the periodic table.**\nMolecular Physics 2019, 117 (9-12), 1200\u20131225.\n[](https://doi.org/10.1080/00268976.2018.1535143)\n",
"bugtrack_url": null,
"license": null,
"summary": "Table of dipole polarizaility for atom with Z=1 to 120",
"version": "0.0.1",
"project_urls": {
"Changelog": "https://github.com/AtomPolarTable/dipole-polarizability/CHANGELOG.md",
"Homepage": "https://github.com/AtomPolarTable/dipole-polarizability",
"Repository": "https://github.com/AtomPolarTable/dipole-polarizability"
},
"split_keywords": [
"dipole polarizability",
" periodic table"
],
"urls": [
{
"comment_text": "",
"digests": {
"blake2b_256": "0b8df8c78b17e1ac3e4fd46c1aa72ea4195dc85035899bdd13b79ed027661d26",
"md5": "a6d028bf7c0d5dfc0fbd4e2e22864329",
"sha256": "270762c22a26775d28fa721d1034d9fb664e8960873a07288d2dbd23bb80f9da"
},
"downloads": -1,
"filename": "pydipole-0.0.1-py3-none-any.whl",
"has_sig": false,
"md5_digest": "a6d028bf7c0d5dfc0fbd4e2e22864329",
"packagetype": "bdist_wheel",
"python_version": "py3",
"requires_python": ">=3.8",
"size": 154651,
"upload_time": "2024-11-03T11:22:50",
"upload_time_iso_8601": "2024-11-03T11:22:50.564899Z",
"url": "https://files.pythonhosted.org/packages/0b/8d/f8c78b17e1ac3e4fd46c1aa72ea4195dc85035899bdd13b79ed027661d26/pydipole-0.0.1-py3-none-any.whl",
"yanked": false,
"yanked_reason": null
},
{
"comment_text": "",
"digests": {
"blake2b_256": "64b8a8e167a0a316af68290f7dd29dd61ca888860af0f45ddd3cfb361316b529",
"md5": "0bb12586ef0d99417f427618813a2ea3",
"sha256": "7cac6fc7e672bc49d93e37f53bb2fbac46bddbb43ed1994b4150af1f4f15ae3b"
},
"downloads": -1,
"filename": "pydipole-0.0.1.tar.gz",
"has_sig": false,
"md5_digest": "0bb12586ef0d99417f427618813a2ea3",
"packagetype": "sdist",
"python_version": "source",
"requires_python": ">=3.8",
"size": 918968,
"upload_time": "2024-11-03T11:22:53",
"upload_time_iso_8601": "2024-11-03T11:22:53.523547Z",
"url": "https://files.pythonhosted.org/packages/64/b8/a8e167a0a316af68290f7dd29dd61ca888860af0f45ddd3cfb361316b529/pydipole-0.0.1.tar.gz",
"yanked": false,
"yanked_reason": null
}
],
"upload_time": "2024-11-03 11:22:53",
"github": true,
"gitlab": false,
"bitbucket": false,
"codeberg": false,
"github_user": "AtomPolarTable",
"github_project": "dipole-polarizability",
"travis_ci": false,
"coveralls": false,
"github_actions": true,
"lcname": "pydipole"
}
