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smullen22/molecool

molecool

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A Python package for analyzing and visualizing xyz files.

Copyright

Copyright (c) 2023, Sarah Mullen

Acknowledgements

Project based on the Computational Molecular Science Python Cookiecutter version 1.1.

This repositor is currently under development. To do a development install, download this repository and type 'pip install -e .' in the repository directory.

This package requires the following:

  • numpy
  • matplotlib

Features should be developed on branches. To create and switch to a branch, use the command

git checkout -b new_branch_name

To switch to an existing branch, use

`git checkout new_branch_name'

To submit your feature to be incorporated to the main branch, you should submit a 'pull request'. The repository maintainers will review your pull request before accepting your changes.

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