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molecool

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A python package for analyzing and visualizing xyz files This repository is currently under development. To do a developmental install, download this repository and type

pip install -e .

in the repository directory.

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.

Copyright

Copyright (c) 2021, Alexander Perez

Acknowledgements

Project based on the Computational Molecular Science Python Cookiecutter version 1.5.

This package requires the following:

  • numpy
  • matplotlib

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