Doc, example and @ref fixes

docs/src/versions.md

@@ -55,7 +55,7 @@ can be resolved by passing an explicit `offset`.
 The function [`remove_periodicity!`](@ref) disables periodicity along specified
 dimensions.
 
-Rename `StaticStructureFactor` to [`InstantStructureFactor`](@ref).
+Rename `StaticStructureFactor` to [`InstantStructureFactor`].
 
 
 # Version 0.4.2

docs/src/writevtk.md

@@ -14,7 +14,7 @@ ParaView supports volumetric rendering:
 First, generate some correlation data in Sunny.
 We will use a 2D lattice, since the correlation data ``S(Q_x,Q_y,\omega)`` is 
 3D and can be exported in its entirety.
-The following code sets up the system, thermalizes it, and records the correlation data in a [`SampledCorrelations`](@ref) called `dsf`.
+The following code sets up the system, thermalizes it, and records the correlation data in a `SampledCorrelations` called `dsf`.
 
 ```julia
 using Sunny
@@ -44,11 +44,11 @@ end
 
 ωmax=10.
 
-dsf = SampledCorrelations(sys
-                          ;Δt=Δt
-                          ,nω=48
-                          ,ωmax=ωmax
-                          ,process_trajectory=:symmetrize)
+dsf = dynamical_correlations(sys
+                             ;Δt=Δt
+                             ,nω=48
+                             ,ωmax=ωmax
+                             ,process_trajectory=:symmetrize)
 
 nsamples = 10
 for _ in 1:nsamples

examples/powder_averaging.jl

@@ -27,7 +27,7 @@ for _ ∈ 1:3000
     step!(sys, integrator)
 end;
 
-# We can now estimate ``𝒮(𝐪,ω)`` with [`SampledCorrelations`](@ref). We
+# We can now estimate ``𝒮(𝐪,ω)`` with [`dynamical_correlations`](@ref). We
 # will tell Sunny to symmetrize the sample trajectory along the time-axis to
 # minimize Fourier artifacts.
 
@@ -125,7 +125,7 @@ fig1
 #   [`add_sample!`](@ref)
 # - Increasing the system size to improve momentum space resolution
 # - Increasing the energy resolution (`nω` keyword of
-#   [`SampledCorrelations`](@ref)) 
+#   [`dynamical_correlations`](@ref)) 
 # - Applying instrument-specific energy broadening by giving `broaden_energy` a
 #   custom kernel function.
 # - Including [`FormFactor`](@ref) corrections

src/Reshaping.jl

@@ -179,7 +179,7 @@ output from this function will typically be used as input to
 
 Because this function does not incorporate phase information in its averaging
 over sublattices, the printed weights are not directly comparable with
-experiment. For that purpose, use [`InstantCorrelations`](@ref) instead.
+experiment. For that purpose, use [`instant_correlations`](@ref) instead.
 
 The weights printed by `print_wrapped_intensities` may be given a physical
 interpretation as follows: All possible ``q``-vectors are periodically wrapped

src/SampledCorrelations/SampledCorrelations.jl

@@ -1,3 +1,10 @@
+"""
+    SampledCorrelations
+
+Basic data type for storing sampled correlation data. A `SampleCorrelations` is
+initialized by calling either [`dynamical_correlations`](@ref) or
+[`instant_correlations`](@ref).
+"""
 struct SampledCorrelations{N}
     # 𝒮^{αβ}(q,ω) data and metadata
     data           :: Array{ComplexF64, 7}   # Raw SF data for 1st BZ (numcorrelations × natoms × natoms × latsize × energy)
@@ -290,14 +297,14 @@ information. ``𝒮(𝐪)`` data can be retrieved by calling
 [`instant_intensities_interpolated`](@ref).
 
 _Important note_: When dealing with continuous (non-Ising) spins, consider
-creating a full [`SampledCorrelations`](@ref) object instead of an
-`InstantCorrelations`. The former will provide full ``𝒮(𝐪,ω)`` data, from
+creating using [`dynamical_correlations`](@ref) instead of 
+`instant_correlations`. The former will provide full ``𝒮(𝐪,ω)`` data, from
 which ``𝒮(𝐪)`` can be obtained by integrating out ``ω``. During this
 integration step, Sunny can incorporate temperature- and ``ω``-dependent
 classical-to-quantum correction factors to produce more accurate ``𝒮(𝐪)``
 estimates. See [`instant_intensities_interpolated`](@ref) for more information.
 
-Prior to calling `InstantCorrelations`, ensure that `sys` represents a good
+Prior to calling `instant_correlations`, ensure that `sys` represents a good
 equilibrium sample. Additional sample data may be accumulated by calling
 [`add_sample!`](@ref)`(sc, sys)` with newly equilibrated `sys` configurations.
 

src/Sunny.jl

@@ -91,7 +91,7 @@ include("SampledCorrelations/FormFactor.jl")
 include("SampledCorrelations/BasisReduction.jl")
 include("Intensities/Types.jl")
 include("SampledCorrelations/DataRetrieval.jl")
-export dynamical_correlations, instant_correlations, FormFactor, 
+export SampledCorrelations, dynamical_correlations, instant_correlations, FormFactor, 
     add_sample!, broaden_energy, lorentzian,
     all_exact_wave_vectors, ωs, spherical_shell, merge!, intensity_formula, integrated_lorentzian
 

src/VTKExport.jl

@@ -32,7 +32,8 @@ function export_vtk(filename,sys; coordinates = :physical, log_scale = false)
 
     ## Save S(Q) correlations
 
-    ic = InstantCorrelations(sys)
+    ic = instant_correlations(sys)
+    add_sample!(ic, sys)
     params = unit_resolution_binning_parameters(ic)
     formula = intensity_formula(ic,:trace)