Module sampling::rees

Entropic sampling using a replica exchange approach

The entropic sampling itself is identical to the one from this module with the difference being, that there will be replica exchanges between neighboring intervals (and if you have multiple walker in an interval, they can exchange states as well)

This is intended to improve the sampling of difficult “energy landscapes”

Structs

• ReesWalker
  Walker for Replica exchange entropic sampling
• ReplicaExchangeEntropicSampling
  Struct used for entropic sampling with replica exchanges

Functions

• merged_log10_prob_rees
  Merge probability density of multiple rees simulations
• merged_log_prob_ignore
  Merge probability density of multiple rees simulations
• merged_log_prob_rees
  Merge probability density of multiple rees simulations

Type Aliases

• Rees
  Short for ReplicaExchangeEntropicSampling