About gamdpy
============

The gamdpy package implements molecular dynamics on GPU's in Python, relying heavily on
the numba package (https://numba.pydata.org/) which does JIT (Just-In-Time)
compilation both to CPU and GPU (cuda).
The package being pure Python (letting numba do the heavy lifting of generating fast code)
results in an extremely extendable package: simply by interjecting Python functions in the right places,
the (experienced) user can extend most aspect of the code, including: new integrators, new pair-potentials,
new properties to be calculated during simulation, new particle properties, etc.

Here is an example of a script that runs a simple Lennard-Jones simulation ( :download:`minimal.py <./examples/minimal.py>`):

.. literalinclude:: ./examples/minimal.py
   :language: python

Contents
========

.. toctree::
   :maxdepth: 2

   installation
   tutorials
   examples/README.md
   api
   development


Indices and tables
==================

* :ref:`genindex`
* :ref:`modindex`
* :ref:`search`