TrialModel

class TrialModel : public feasst::Trial

Attempt to change the Model::model_index by plus or minus one.

The derivation of the acceptance criteria follows a similar procedure as descibed in TrialComputeMove, except with the following differences.

The limiting distribution in the canonical canonical ensemble is

\(\pi_i \propto e^{-\beta U_i}\)

The transition probabilities are as follows.

Forward event

[reverse event]

Probability, \(\pi_{on}\)

[reverse probability, \(\pi_{no}\)]

Select increase of decrease

[Select increase of decrease]

\(1/2\)

\([1/2]\)

Accept

[Accept]

\(min(1, \chi)\)

\([min(1, 1/\chi)]\)

Application of local detailed balance yields the acceptance probability, \(\chi\).

\(\frac{e^{-\beta U_0}}{2}min(1, \chi) = \frac{e^{-\beta U_n}}{2} min(1, 1/\chi)\)

\(\chi = e^{-\beta(U_n - U_o)}\)

Arguments