Installing XANESNET
===================



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Download
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XANESNET can be downloaded from either GitLab or GitHub repository:

.. code-block::

	git clone https://gitlab.com/team-xnet/xanesnet.git

or

.. code-block::

	git clone https://github.com/NewcastleRSE/xray-spectroscopy-ml.git

The repository contains all source files, along with example input files and datasets.

Complete training sets for X-ray absorption and emission of molecules containing first row transition metals can be obtained using:

.. code-block::

	git clone https://gitlab.com/team-xnet/training-sets.git

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Installation
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The code has been designed to support python 3.10 and above.
Dependencies and version requirements can be installed using:

.. code-block::

	python -m pip install .