rgmol v0.1.4.5
rgmol is a python package that intends to offer calculations and visualizations of molecular properties. Its main purpose is to compute and visualize the condensed and non-condensed linear response function from CDFT.
- Github : https://github.com/re-gr/rgmol
- Documentation : https://re-gr.github.io/rgmol_wiki/
Installation :
pip install rgmol
Getting Started
An example script can be found in "rgmol/example_script.py"
A detailed tutorial can be found in the documentation.
Depedencies
numpy
scipy
periodictable
pyvista
matplotlib
Contact
Email : Rg
1 maintainer
Metadata
1 maintainer
Release files for rgmol 0.1.4.5
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Source distribution (sdist)
| File | Size | Uploaded | Provenance | Actions |
|---|---|---|---|---|
| rgmol-0.1.4.5.tar.gz | 3.7 MB | With provenance | Details for rgmol-0.1.4.5.tar.gz |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Actions Reset |
|---|---|---|---|---|
| rgmol-0.1.4.5-py3-none-any.whl | Python 3 | none | any | Details for rgmol-0.1.4.5-py3-none-any.whl |
Total release size: 7.5 MB
Release files / rgmol-0.1.4.5.tar.gz
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| Size | 3.7 MB |
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| Download URL | rgmol-0.1.4.5-py3-none-any.whl |
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| Size | 3.8 MB |
| Tags | Python 3 |
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