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Computational chemistry library in python

Project description

|Documentation Status|
|MIT license|

.. |Documentation Status| image::

.. |MIT license| image::
:target: LICENSE

Set up and installation

In order to use the library, first clone it::

git clone --recursive

Then export the PATH in your ``~/.bashrc``::



* Please take a look at the code `documentation <>`_ for more details.

.. todo::
#. Keep improving documentation.
#. Remove old_comp_chem_py repository/group and all subrepositories or archive it.
#. Add tests. Maybe with doctest. They should also be included in the See,
#. Consider making comp_chem_utils an external submodule.
#. Add section about requirements and dependencies on documentation.
#. Add the ebsel package into using the git repo as,

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