.. OpenFTS documentation master file, created by
   sphinx-quickstart on Tue May 26 08:47:49 2020.
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OpenFTS
==========================================================

OpenFTS is a high performance simulation package in C++11 for performing field-theoretic simulations.
OpenFTS is currently under active development by `Joshua Lequieu <https://www.lequieulab.org>`_ at Drexel University.

.. figure:: OpenFTS_first_single_diamond.png
  :figwidth: 40%

  Single Diamond Phase

.. figure:: OpenFTS_first_CL.png
  :figwidth: 40%

  Complex Langevin Simulation

Notable features:
------------------
  
  * Fully featured python interface
  * CPU/GPU and double/float support via simple build flags
  * Variable Cell SCFT or Complex Langevin simulations
  * Linear and comb polymer architectures
  * Continuous and discrete chain models 
  * Suports any number of molecules, composed of any number of species, in any monomer sequence
  * Multiple field updaters
  * Extensive unit/integration tests
  * Support for both scaled units (e.g. B,C,E, :math:`\phi_i`, :math:`\tilde{a}`, :math:`\tilde{V}`) and unscaled units (e.g. :math:`u_0`, :math:`\rho_0`, :math:`l_B`, :math:`n_i`, `a`, `V`)
  * Documentation (clearly =D)


.. toctree::
  :maxdepth: 3
  :caption: Getting Started:
  :numbered:
  
  build
  run
  simulation_setup
  analyzing_results

.. toctree::
  :maxdepth: 1
  :caption: Tutorials

  tutorials/1-basics/SCFT-FTS-Basics
  tutorials/2-particlemap/Mapping-fields-to-particles
  tutorials/3-optimization/Improving-simulation-performance

.. toctree::
  :maxdepth: 1
  :caption: Reference

  python_module
  
  fts_glossary

  cell
  field_layout
  species

  model_melt_chi_ab
  model_melt_chi_multispecies
  model_edwards
  model_edwards_ab
  model_edwards_charge
  init_model_fields

  molecule_polymer_continuous
  molecule_polymer_discrete
  molecule_polymer_comb
  molecule_bead
  
  operators
  output
  
  driver_scftcl
  driver_rpa
  field_updaters

  monitor_operators_imag
  monitor_operators_warmup
  
  particle_map 

.. toctree::
  :maxdepth: 1
  :caption: External Python Tools
  
  gibbs_ensemble
  timestep_optimization

.. toctree::
  :maxdepth: 1
  :caption: LEGACY Formalism

  code_overview
  variable_cell
  continuous_vs_discrete_chains


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

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