xdatbus's documentation
===================================

**xdatbus** is a Python library designed for VASP users who conduct research on ab-initio MD simulations, as well as
biased MD simulations. The main file that the package addresses is
the `XDATCAR <https://www.vasp.at/wiki/index.php/XDATCAR/>`_, which is the trajectories file generated by
the Vienna Ab initio Simulation Package (`VASP <https://www.vasp.at/>`_).


Check out the :doc:`installation` section to get started, and :doc:`usage` section for analyzing your AIMD simulations.

.. note::

This project is actively under development. We welcome feedback on its usage, as well as reports of defects or
suggestions for expected functions. You can directly post any issues in
the `GitHub repository <https://github.com/jcwang587/xdatbus>`_ or
the `discussion forumn <https://github.com/jcwang587/xdatbus/discussions>`_.

.. toctree::
   :maxdepth: 2
   :caption: Getting Started
  
   getting_started/installation

.. toctree::
   :maxdepth: 2
   :caption: Usage
  
   usage/command_line_interface
   usage/programming_interface

.. toctree::
   :maxdepth: 2
   :caption: Advanced Resources

   api_reference/api_reference