diff --git a/scripts/BHM-example.jl b/scripts/BHM-example.jl index b5858e22d..10839f766 100644 --- a/scripts/BHM-example.jl +++ b/scripts/BHM-example.jl @@ -79,10 +79,11 @@ plot!(df.steps, df.norm, label="norm", ylabel="norm", xlabel="steps") # Now let's look at estimating the energy from the shift. # The mean of the shift is a useful estimator of the shift. Calculating the error bars # is a bit more involved as correlations have to be removed from the time series. -# The following code does that: +# The following code does that with blocking transformations: se = shift_estimator(df; skip=steps_equilibrate) -# For the projected energy, it a bit more complicated as it's a ratio of two means: +# For the projected energy, it a bit more complicated as it's a ratio of fluctuationg +# quantities: pe = projected_energy(df; skip=steps_equilibrate) # The result is a ratio distribution. Let's get its median and lower and upper error bars @@ -107,6 +108,8 @@ dimension(Ĥ) # using standard linear algebra: using LinearAlgebra exact_energy = eigvals(Matrix(Ĥ))[1] +# Read more about `Rimu.jl`s capabilities for exact diagonalisation in the example +# "Exact diagonalisation". # Comparing our results for the energy: println("Energy from $steps_measure steps with $targetwalkers walkers: diff --git a/src/lomc.jl b/src/lomc.jl index 182e7def4..2df0f45c0 100644 --- a/src/lomc.jl +++ b/src/lomc.jl @@ -289,12 +289,12 @@ end Return a default starting vector for [`lomc!`](@ref). The default choice for the starting vector is ```julia -v = PDVec(starting_address => 10; style) +v = PDVec(address => 10; style) ``` if threading is available or ```julia -v = DVec(starting_address => 10; style) +v = DVec(address => 10; style) ``` otherwise. See [`PDVec`](@ref), [`DVec`](@ref) and [`StochasticStyle`](@ref). """ @@ -404,7 +404,8 @@ julia> metadata(df2, "hamiltonian") # some metadata is automatically added The default choice for the starting vector is `v = default_starting_vector(; address, style, threading)`. -See [`default_starting_vector`](@ref). +See [`default_starting_vector`](@ref), [`PDVec`](@ref), [`DVec`](@ref), and +[`StochasticStyle`](@ref). """ function lomc!(ham, v; df=DataFrame(), name="lomc!", metadata=nothing, kwargs...) state = QMCState(ham, v; kwargs...)