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CompChemUtils 0.0.5 documentation

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CompChemUtils 0.0.5 documentation

Home
Quick Start
Tutorials
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- Surface Chemistry
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  - Finding Adsorption Sites
- Workflows
- Charge Analysis
- Free Energy Diagrams
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  - Creating Free Energy Diagrams
- Thermochemistry
- Linear Response Calculations
- Structure Geometry
API Documentation
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- Package Index
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  - ccu package
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    - ccu.adsorption package
    - ccu.cli package
    - ccu.fancyplots package
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      - ccu.fancyplots.gui package
    - ccu.hubbard package
    - ccu.structure package
    - ccu.thermo package
- Command Line Tools
Contributing
Development Guide
Authors
Changelog
License

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Structure Geometry¶

WIP

API Documentation

Linear Response Calculations

Copyright © 2023, Ugochukwu Nwosu

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Last updated on Tue, 11 Jun 2024 15:13:26