OpenFTS Documentation

OpenFTS is a high performance simulation package in C++11 for performing field-theoretic simulations. OpenFTS is currently under active development by Joshua Lequieu at Drexel University.

Single Diamond Phase

Complex Langevin Simulation

Notable features:

• Fully featured python interface

• Calculation via single CPU, multiple CPUs (via OpenMP), Nvidia GPUs (via CUDA) and AMD GPUs (via HIP)

• Double/float support via simple build flags

• Variable Cell SCFT, Complex Langevin simulations, RPA, Gibbs Ensemble

• Automated tools to optimize timesteps

• Linear, comb and star 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, \(\phi_i\), \(\tilde{a}\), \(\tilde{V}\)) and unscaled units (e.g. \(u_0\), \(\rho_0\), \(l_B\), \(n_i\), a, V)

• Documentation (clearly =D)

Getting Started:

• 1. Building OpenFTS
  • 1.1. Dependencies
  • 1.2. Build Instructions
    • 1.2.1. Problems with building?
    • 1.2.2. Building FFTW
  • 1.3. Build Options
• 2. Running OpenFTS
  • 2.1. OpenFTS as a python module
  • 2.2. OpenFTS as a C++ executable
  • 2.3. Converting between json and python input files
    • 2.3.1. Json to python
    • 2.3.2. Python to json
• 3. Setting up a simulation
• 4. Output files
  • 4.1. Instantaneous species densities
  • 4.2. Instantaneous field configurations
  • 4.3. Scalar operator files
  • 4.4. Field operator files
  • 4.5. Field errors
  • 4.6. Run Status
• 5. FTS Glossary
• 6. Converting to OpenFTS2
  • 6.1. OpenFTS2 (the default)
  • 6.2. OpenFTS1 (depreciated)

Tutorials

• SCFT/FTS Basics
• Mapping from fields to particles
• Improving simulation performance
• Calculating surface tension
• Visualizing field files

Python API

• OpenFTS
• Cell
• Driver
• Field Layout
• Field Updater
• InitField
• Model
• Molecule
• Monitor
• Operator
• Output
• Species
• VariableCell

Python Wrappers

• Gibbs Ensemble
• Timestep Optimization

LEGACY Formalism

• Variable Cell Formalism
• Continuous vs Discrete Chains

Indices and tables

• Index

• Module Index

• Search Page