moca — Monte Carlo Module

This module includes classes and functions that allow to run MCMC sampling simulations using a cluster expansion Hamiltonian with/or using optional pair potentials.

• Ensembles
  • Ensemble
• Processors
  • Cluster Expansion & Decomposition Processors
  • Ewald Processor
  • Composite Processor
• Sampling
  • Sampler
  • Sample Container
• Kernels
  • MCKernels
  • MCUshers
  • Sampling Bias
• Sublattice
  • Sublattice