Gibbs Ensemble
===========================

Simulations directly sampling phase coexistence risk overrepresenting the
interfaces between phases unless system sizes are substantially large. Gibbs 
Ensemble techniques allow for the simulation of phase coexistence without 
introducing large system sizes. Instead, they simulate the two phases 
separately and allow them to exchange particles and alter their volumes, with
the aim of reaching equal temperatures, pressures, and chemical potentals.

OpenFTS includes the Gibbs Ensemble technique through the `GibbsEnsemble` 
class. An example using `GibbsEnsemble` is provided here ::

    import openfts
    fts = openfts.OpenFTS()                       # create an fts object
    ...                                           # edit the fts object
    optimizer = openfts.GibbsEnsemble(fts)        # create a GibbsEnsemble object
    state0 = gibbs.create_state()                 # create and overwrite the GibbsEnsemble state
    gibbs.state_updater(...)                      # ...

where below is the comprehensive API to interface with `GibbsEnsemble` 
(generated via sphinx.autodoc).

.. autoclass:: openfts.GibbsEnsemble
    :members:
    :undoc-members: