Minim

Minim is a C++ library for energy minimisation problems. It contains a variety of algorithms, such as gradient descent, L-BFGS, FIRE and simulated annealing, and a selection of system potentials. These can utilise MPI parallelisation using built-in frameworks.

Contents:

• Quick Start
  • Installation
  • A first program
  • Configuring a potential
  • Logging during minimisation
  • Parallelisation
• Parallelisation
  • Running with MPI
  • Using OpenMP
  • Running under Slurm
  • How the parallelisation is implemented
• Algorithms
  • Anneal
  • Fire
  • GradDescent
  • Lbfgs
• Potentials
  • BarAndHinge
  • Lennard-Jones
  • PhaseField
  • PhaseFieldUnstructured
• Core API
  • State
  • Minimiser
  • Potential
• Communication API
  • mpi
  • Mpi
  • Communicator
  • Communicator subclasses
• Utils API
  • Printing
  • Vector operations
  • Ranges