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molsystem

Project description

MolSystem

Build Status Code Coverage Code Quality Documentation Status Updates for Dependencies PyPi VERSION

Molsystem provides a general class for handling molecular and periodic systems

Features

  • Complete the initial version!
    • Remove the coordinates from the Atoms class and allow for multiple sets of coordinates – conformers, trajectories, etc.
    • Provide a concept of the ‘current’ system

Credits

This package was created with Cookiecutter and the audreyr/cookiecutter-pypackage project template.

History

0.1.0 (2019-05-05)

  • First release on PyPI.

Project details


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