Usage
========

Installation
------------

To use QM sim, first install it using pip:

.. code-block:: console

    $ pip install qm-sim


To run calculations on a GPU, install the PyTorch version for your system at the 
`PyTorch website <https://pytorch.org/get-started/locally/>`_ as well


Examples
--------

No potential
------------

.. literalinclude:: ../../examples/01_zero_potential.py
   :language: python

Quadratic potential
-------------------

.. literalinclude:: ../../examples/02_quadratic_potential.py
   :language: python

2D system
---------

.. literalinclude:: ../../examples/03_2D_potential.py
   :language: python

Adiabatic evolution
-------------------

.. literalinclude:: ../../examples/04_adiabatic_evolution.py
   :language: python

Temporal evolution
------------------

.. literalinclude:: ../../examples/05_temporal_evolution.py
   :language: python

Temporal evolution of a 2D system
---------------------------------

.. literalinclude:: ../../examples/06_2D_temporal_evolution.py
   :language: python

Hydrogen atom
-------------

.. literalinclude:: ../../examples/07_hydrogen_atom.py
   :language: python