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0.1.1.3 rgmol-0.1.1.3-py3-none-any.whl

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Project: rgmol
Version: 0.1.1.3
Filename: rgmol-0.1.1.3-py3-none-any.whl
Download: [link]
Size: 3190025
MD5: 594b3659621c530629ff8c9eb45f97dc
SHA256: 20e60ceedfc2336beeb39c9511c8c4b628515f828ee8d9b1a1239feade74658f
Uploaded: 2025-01-21 14:45:49 +0000

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METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version: 2.2
Name: rgmol
Version: 0.1.1.3
Summary: Visualization and computation of various chemical properties from DFT softwares. Its main purpose is to compute and visualize the condensed and non-condensed linear response function from CDFT.
Author-Email: Rémi Grincourt <remi.grincourt[at]ens-lyon.fr>
Project-Url: Repository, https://github.com/re-gr/rgmol
Project-Url: Documentation, https://re-gr.github.io/re-gr/rgmol_wiki
License: MIT License Copyright (c) 2024 re-gr Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation files (the "Software"), to deal in the Software without restriction, including without limitation the rights to use, copy, modify, merge, publish, distribute, sublicense, and/or sell copies of the Software, and to permit persons to whom the Software is furnished to do so, subject to the following conditions: The above copyright notice and this permission notice shall be included in all copies or substantial portions of the Software. THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE.
Keywords: molecule,representation,dft,cdft,visualization,chemistry
Classifier: Development Status :: 4 - Beta
Classifier: Programming Language :: Python :: 3.12
Requires-Python: >=3.9
Requires-Dist: numpy
Requires-Dist: scipy
Requires-Dist: periodictable
Requires-Dist: pyvista
Description-Content-Type: text/markdown
[Description omitted; length: 694 characters]

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rgmol-0.1.1.3.dist-info/RECORD — —

top_level.txt

rgmol