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Welcome to Pycasino
===================

Welcome to the Pycasino documentation.

Pycasino is a Python implementation of the `Casino <https://vallico.net/casinoqmc/>`_ quantum
Monte Carlo program. It supports VMC and DMC energy calculations and wavefunction optimisation
for molecules with Gaussian or Slater-type orbital basis sets.

Pycasino is based on `Numba <https://numba.readthedocs.io/en/stable/>`_ for JIT-compiled inner
loops and `mpi4py <https://mpi4py.readthedocs.io/>`_ for MPI parallelisation.

User guide
==========

.. toctree::

    installation
    quickstart
    tutorial
    parallel

Release notes
=============

.. toctree::

    changelog