Library API reference

Welcome to the libFLY API reference this serves as information for developers to learn more about openFLY’s internals and as reference for programmers using libFLY.

Modules

• Utility
  • Versioning
  • Core
  • Random numbers
  • Natural Splines
  • Lattices
• System
  • Simulation space
  • Properties
  • Property generic data-structures
  • Supercells
  • Hessians
• Neighbours
  • Lists
  • Sorting
• Environments
  • Geometry
  • Heuristics
  • Mechanisms
  • The catalogue
• Input/Output (IO)
  • GSD formatted binary IO
• Potentials
  • Generic potential
  • EAM
• Minimisers
  • LBFGS
• Saddle-points
  • Master saddle-point finder
  • Dimer
  • Rotor
• Kinetics
  • Basins
  • Superbasins
  • Super(super)basins
  • Super kinetic Monte Carlo