https://github.com/mcgalcode/rxn-ca

A cellular automaton for simulation solid state reactions
https://github.com/mcgalcode/rxn-ca

Last synced: 7 months ago
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A cellular automaton for simulation solid state reactions

• Host: GitHub
• URL: https://github.com/mcgalcode/rxn-ca
• Owner: mcgalcode
• License: other
• Created: 2022-10-21T18:18:52.000Z (about 3 years ago)
• Default Branch: master
• Last Pushed: 2025-01-20T22:14:18.000Z (10 months ago)
• Last Synced: 2025-03-29T21:41:25.298Z (7 months ago)
• Language: Jupyter Notebook
• Size: 6.39 MB
• Stars: 7
• Watchers: 1
• Forks: 3
• Open Issues: 2
• Metadata Files:
  • Readme: README.md
  • Changelog: CHANGELOG.md
  • Contributing: CONTRIBUTING.md
  • License: LICENSE
  • Code of conduct: CODE_OF_CONDUCT.md

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README

          
# rxn-ca - A lattice model for simulating solid state reactions

Welcome to the `rxn-ca` repository. This package contains a simulation for predicting the outcome of solid-state synthesis reactions using data from the [Materials Project](https://next-gen.materialsproject.org/).

## Installation

To install this library, run the following command from inside this repository after cloning it:

```

>>> pip install -e .

```

## Basic Usage

To view the basic usage for this library, please consult the `guides/basic_usage.ipynb` python notebook. More detailed documentation is in progress.