.. endstate_correction documentation master file, created by
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Welcome to endstate_correction's documentation!
=========================================================

Following an arbritary thermodynamic cycle to calculate a free energy 
for a given molecular system at a certain level of theory, we can perform 
endstate corrections at the nodes of the thermodynamic cycle to a desired 
target level of theory.
In this work we have performed the endstate corrections using equilibrium 
free energy calculations, non-equilibrium (NEQ) work protocols and 
free energy perturbation (FEP).

.. figure:: images/td_cycle.png

.. toctree::
   :maxdepth: 2
   :caption: Contents:

   getting_started
   theory
   api



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

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