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 at Drexel University.

Single Diamond Phase

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, \(\phi_i\), \(\tilde{a}\), \(\tilde{V}\)) 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?
  • 1.3. 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. Analyze the results
  • 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

Tutorials

• SCFT/FTS Basics
• Mapping from fields to particles
• Improving simulation performance

Reference

• Python Module API
• FTS Glossary
• Cell
• Field Layout
• Species
• Model Melt Chi AB
• Model Melt Chi Multi-Species
• Model Edwards
• Model Edwards AB
• Model Edwards Charge
• Initialize Model Fields
• Molecule Polymer Linear (continuous)
• Molecule Polymer Linear (discrete)
• Molecule Polymer Comb
• Molecule Bead
• Operators
• Output
• Driver SCFTCL
• Driver RPA
• Field Updaters
• Monitor Operators Imag
• Monitor Operators Warmup
• Particle Map

External Python Tools

• Gibbs Ensemble
• Timestep Optimization

LEGACY Formalism

• Code Overview
• Variable Cell
• Continuous vs Discrete Chains

Indices and tables

• Index

• Module Index

• Search Page