# ComputeBeta

class ComputeBeta : public feasst::TrialCompute

Attempt to change the inverse temperature, $$\beta$$.

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, $$\chi$$.

$$\frac{e^{-\beta_o U}}{2}min(1, \chi) = \frac{e^{-\beta_n U}}{2} min(1, 1/\chi)$$

$$\chi = e^{-(\beta_n - \beta_o) U}$$

Public Functions

void perturb_and_acceptance(Criteria *criteria, System *system, Acceptance *acceptance, std::vector<TrialStage*> *stages, Random *random)

Perform the Perturbations and determine acceptance.