Estimators

Estimators

Functions for computing thermal expectation values as ensemble averages.

adiabatic_population

diabatic_population

kinetic_energy(sim, u)

potential_energy(sim, u)

radius_of_gyration(sim, r)

total_energy(sim, u)

@estimate f(simulation, vector)

Evaluate f(simulation, vector[i]) for all i and return the average.

Can be used for any function defined in Estimators.jl.