WLTM

class WLTM : public feasst::Bias

Begin with WangLandau and end with TransitionMatrix. See https://doi.org/10.1063/1.1615966 and https://doi.org/10.1063/1.4884124

Arguments

  • WangLandau arguments.

  • TransitionMatrix arguments.

  • collect_flatness: Begin populating the collection matrix when Wang-Landau has completed this many flatness checks. Note that populating the collection matrix does not necessarily mean that the collection matrix is used to compute the bias.

  • min_collect_sweeps: In addition to WangLandau::min_flatness, do not use TransitionMatrix as bias until it has this minimum number of sweeps. If -1, do nothing (default: -1).

Public Functions

void update(const int macrostate_old, const int macrostate_new, const double ln_metropolis_prob, const bool is_accepted, const bool is_endpoint, const Macrostate &macro)

Update only.

int cycles_to_complete() const

Updates min_sweeps, but neither flatness.

void set_cycles_to_complete(const int cycle)

Set the number of cycles required for completion.

const LnProbability &ln_prob() const

The natural log of the macrostate probability.

void infrequent_update(const Macrostate &macro)

Perform an infrequent update to the bias.

void set_ln_prob(const LnProbability &ln_prob)

Set the macrostate probability distribution.