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Write examples/extra folder as Jupyter notebooks #346

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Write examples/extra folder as Jupyter notebooks #346

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4 changes: 2 additions & 2 deletions examples/extra/Advanced_MC/PT_WHAM_ising2d.jl
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Expand Up @@ -34,10 +34,10 @@ Sunny.step_ensemble!(PT, n_therm, exch_interval)

# Start PT simulation
for _ in 1:n_measure
# Run some sweeps and replica exchanges
## Run some sweeps and replica exchanges
Sunny.step_ensemble!(PT, measure_interval, exch_interval)

# Measurements - assuming LocalSampler used
## Measurements - assuming LocalSampler used
for (j, sampler) in enumerate(PT.samplers)
E_hists[j][sampler.ΔE] += 1
end
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2 changes: 1 addition & 1 deletion examples/extra/Advanced_MC/REWL_ising2d.jl
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Expand Up @@ -26,7 +26,7 @@ exch_interval = 100
for i in 1:n_iters
for mcs in 1:max_hchecks_per_iter
Sunny.step_ensemble!(REWL, hcheck_interval, exch_interval)
# If flat, go to next iteration
## If flat, go to next iteration
flat = fill(false, length(REWL.samplers))
@Threads.threads for i in eachindex(REWL.samplers)
flat[i] = Sunny.check_flat(REWL.samplers[i].hist; p=0.5)
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4 changes: 2 additions & 2 deletions examples/extra/Advanced_MC/WL_ising2d.jl
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Expand Up @@ -20,14 +20,14 @@ nsweeps = 1_000
for i in 1:n_iters
for mcs in 1:max_hchecks_per_iter
Sunny.step_ensemble!(WL, nsweeps)
# If flat, go to next iteration
## If flat, go to next iteration
if Sunny.check_flat(WL.hist; p=0.5)
break
end
end
println("iteration $i complete.")
Sunny.reset!(WL.hist)
# Can change to 1/t algorithm or other
## Can change to 1/t algorithm or other
WL.ln_f /= 2
end

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26 changes: 13 additions & 13 deletions examples/extra/KPM/chebyshev_usage.jl
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Expand Up @@ -51,24 +51,24 @@ end

# Examine approximations using different numbers of polynomials.
begin
maxN = 40 # Number of polynomials to use in reconstruction -- choose between 2 and 1000
maxN = 40 ## Number of polynomials to use in reconstruction -- choose between 2 and 1000

# Calculate the coefficients
## Calculate the coefficients
a = 0.05
bounds = (-1, 1)
coefs = cheb_coefs(maxN, nsamps, x -> bose_reg(x, a), bounds)
coefs_jackson = apply_jackson_kernel!(copy(coefs))

# Create reference (evaluate original function on 1000 points)
## Create reference (evaluate original function on 1000 points)
xs_ref = range(bounds[1], bounds[2], 1000)
ref = map(x -> bose_reg(x, 0.05), xs_ref) # "Ground truth"

# Reconstruct from coefficients, without and with Jackson kernel
## Reconstruct from coefficients, without and with Jackson kernel
xs_rec = range(bounds[1], bounds[2], 200) # Points to evaluate reconstruction
rec = map(x -> cheb_eval(x, bounds, coefs), xs_rec)
jac = map(x -> cheb_eval(x, bounds, coefs_jackson), xs_rec)

# Plot results
## Plot results
p = lines(xs_ref, ref; color=(:black, 0.6), label="Reference")
scatter!(xs_rec, rec; marker=:circle, markersize=10.0, color=:orange, label="Reconstruction")
scatter!(xs_rec, jac; marker=:cross, markersize=10.0, color=:magenta, label="Reconstruction (Jackson)")
Expand All @@ -80,30 +80,30 @@ end
# Example of how coefficients die off with varying width parameter
begin
fig = Figure(resolution=(1200,500))
as = [0.1, 0.05, 0.025] # Width parameter of regularized Bose function
as = [0.1, 0.05, 0.025] ## Width parameter of regularized Bose function

# Plot coefficient magnitudes for each case
## Plot coefficient magnitudes for each case
numtokeep = Int64[]
stored_coefs = []
for (n, a) in enumerate(as)
# Calculate and save coefficients
## Calculate and save coefficients
coefs = cheb_coefs(npolys, nsamps, x -> bose_reg(x, a), bounds)
push!(stored_coefs, coefs)

# Plot
## Plot
axis = Axis(fig[1,n]; yscale=log10, ylabel = n == 1 ? L"c_n" : "", xlabel=L"n")
scatter!(axis, abs.(coefs); markersize=2.0)

# Figure out how many coefficients to use for reconstruction (clip when below certain value)
## Figure out how many coefficients to use for reconstruction (clip when below certain value)
push!(numtokeep, findfirst(x -> abs(x) < 1e-5, coefs[begin:2:end]))
end

# Plot original function and reconstruction in each case
## Plot original function and reconstruction in each case
for (n, (maxM, coefs, a)) in enumerate(zip(numtokeep, stored_coefs, as))
# Reconstruct functions from saved coefficients -- used saved number of coefficients
## Reconstruct functions from saved coefficients -- used saved number of coefficients
rec = map(x -> cheb_eval(x, bounds, coefs[1:maxM]), xs_rec)

# Plot
## Plot
ax = Axis(fig[2,n]; ylabel = n == 1 ? L"f(x)" : "", xlabel=L"x")
ref = map(x -> bose_reg(x, a), xs_ref)
lines!(ax, xs_ref, ref; color=(:black, 0.6), label="Reference")
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8 changes: 4 additions & 4 deletions examples/extra/Plotting/plotting2d.jl
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Expand Up @@ -65,11 +65,11 @@ function plot_triangular_plaquettes(f, frames;
colormap=:RdBu, colorrange=(-0.5, 0.5), offset_spacing=1,
numcols=nothing, texts=nothing, force_aspect=true, text_offset = (0.0, 0.0), fig_kwargs...
)
# Consolidate lattice info and panel layout
## Consolidate lattice info and panel layout
numpanels = length(frames)
isnothing(numcols) && (numcols = numpanels)
numrows = floor(Int, (numpanels - 1) / numcols) + 1
v₁, v₂ = [1, 0, 0], [-1/2, √3/2, 0] # Derives from lattice_vectors(a,a,c,90,90,120)
v₁, v₂ = [1, 0, 0], [-1/2, √3/2, 0] ## Derives from lattice_vectors(a,a,c,90,90,120)
nx, ny = size(frames[1])[1:2]
v₁, v₂ = Point3f(v₁), Point3f(v₂)
x, y = [1.0, 0, 0], [0.0, 1, 0]
Expand All @@ -79,7 +79,7 @@ function plot_triangular_plaquettes(f, frames;
y_panel = -ny * v₂
aspect = aspect_ratio(x_panel, y_panel, x_offset, y_offset, numrows, numcols; adhoc_offset=text_offset)

# Set up figure
## Set up figure
fig = Figure(; fig_kwargs...)
if force_aspect
ax = Axis(fig[1, 1:length(frames)]; aspect)
Expand All @@ -89,7 +89,7 @@ function plot_triangular_plaquettes(f, frames;
hidespines!(ax)
hidedecorations!(ax)

# Plot panels
## Plot panels
plaq1(p) = Makie.Polygon(Point2f.([p, p+v₁+v₂, p+v₂]))
plaq2(p) = Makie.Polygon(Point2f.([p, p+v₁, p+v₂+v₁]))
for (i, frame) ∈ enumerate(frames)
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