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tovrstra committed Jun 23, 2024
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Getting Started
===============

IOData can be used to read and write different quantum chemistry file formats.
IOData can be used to read and write various quantum chemistry file formats.

One may use the ``iodata-convert`` script for simple conversions.
The ``iodata-convert`` script can be used for simple conversions.
More complex use cases can be implemented in Python,
which allow you to access all loaded data as Python objects that can be modified or updated
before writing to a new file.
allowing you to access all loaded data as Python objects
that can be modified or updated before writing to a new file.


.. toctree::
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