Undo changes to LSWT

src/Intensities/LinearSpinWaveIntensities.jl

@@ -65,8 +65,8 @@ function intensities_bands(swt::SpinWaveTheory, ks, formula::SpinWaveIntensityFo
     # Get the type parameter from the BandStructure
     return_type = typeof(formula).parameters[1].parameters[2]
 
-    band_dispersions = zeros(Float64,length(ks),2nmodes)
-    band_intensities = zeros(return_type,length(ks),2nmodes)
+    band_dispersions = zeros(Float64,length(ks), nmodes)
+    band_intensities = zeros(return_type,length(ks), nmodes)
     for kidx in CartesianIndices(ks)
         band_structure = formula.calc_intensity(swt, ks[kidx])
 

src/SpinWaveTheory/DispersionAndIntensities.jl

@@ -42,8 +42,7 @@ function bogoliubov!(V::Matrix{ComplexF64}, H::Matrix{ComplexF64})
     # Inverse of λ gives eigenvalues of Ĩ H. We only care about the first L
     # eigenvalues, which are positive. A factor of 2 is needed to get the
     # physical quasiparticle energies.
-    #disp = resize!(λ, L)
-    disp = λ
+    disp = resize!(λ, L)
     @. disp = 2 / disp
 
     # In the special case that H(q) = H(-q) (i.e., a magnetic ordering with
@@ -104,7 +103,7 @@ function dispersion(swt::SpinWaveTheory, qs)
 
     H = zeros(ComplexF64, 2nmodes, 2nmodes)
     V = zeros(ComplexF64, 2nmodes, 2nmodes)
-    disp = zeros(Float64, 2nmodes, length(qs))
+    disp = zeros(Float64, nmodes, length(qs))
 
     for (iq, q) in enumerate(qs)
         q_reshaped = to_reshaped_rlu(swt.sys, q)
@@ -154,8 +153,8 @@ function dssf(swt::SpinWaveTheory, qs)
     qs = Vec3.(qs)
     nmodes = num_bands(swt)
 
-    disp = zeros(Float64, 2nmodes, size(qs)...)
-    Sαβs = zeros(ComplexF64, 3, 3, 2nmodes, size(qs)...) 
+    disp = zeros(Float64, nmodes, size(qs)...)
+    Sαβs = zeros(ComplexF64, 3, 3, nmodes, size(qs)...) 
 
     # dssf(...) doesn't do any contraction, temperature correction, etc.
     # It simply returns the full Sαβ correlation matrix
@@ -165,7 +164,7 @@ function dssf(swt::SpinWaveTheory, qs)
     for qidx in CartesianIndices(qs)
         q = qs[qidx]
         band_structure = formula.calc_intensity(swt,q)
-        for band = 1:(2nmodes)
+        for band = 1:nmodes
             disp[band,qidx] = band_structure.dispersion[band]
             Sαβs[:,:,band,qidx] .= band_structure.intensity[band]
         end
@@ -248,7 +247,7 @@ function intensity_formula(f::Function,swt::SpinWaveTheory,corr_ix::AbstractVect
     H = zeros(ComplexF64, 2*nmodes, 2*nmodes)
     V = zeros(ComplexF64, 2*nmodes, 2*nmodes)
     Avec_pref = zeros(ComplexF64, Nm)
-    intensity = zeros(return_type, 2nmodes)
+    intensity = zeros(return_type, nmodes)
 
     # Expand formfactors for symmetry classes to formfactors for all atoms in
     # crystal
@@ -364,7 +363,7 @@ function intensity_formula(f::Function,swt::SpinWaveTheory,corr_ix::AbstractVect
 
             # If there is no specified kernel, we are done: just return the
             # BandStructure
-            return BandStructure{2*nmodes,return_type}(disp, intensity)
+            return BandStructure{nmodes,return_type}(disp, intensity)
         else
             # Smooth kernel --> Intensity as a function of ω (or a list of ωs)
             return function(ω)

src/Sunny.jl

@@ -101,7 +101,7 @@ include("SpinWaveTheory/DispersionAndIntensities.jl")
 include("SpinWaveTheory/Lanczos.jl")
 include("SpinWaveTheory/Chebyshev.jl")
 include("SpinWaveTheory/KPM.jl")
-export SpinWaveTheory, dispersion, dssf, kpm_dssf, kpm_intensities
+export SpinWaveTheory, dispersion, dssf, kpm_dssf, kpm_intensities, delta_function_kernel
 
 include("SampledCorrelations/SampledCorrelations.jl")
 include("SampledCorrelations/CorrelationUtils.jl")

test/test_lswt.jl

@@ -81,8 +81,6 @@
 end
 
 
-"""
-
 @testitem "Lanczos Bounds" begin
     using LinearAlgebra
     n=10
@@ -644,4 +642,4 @@ end
     is_ref = [0.042551643530614226 0.05061618774203612 0.06118972834822155 0.07541981401191966 0.09518339306332815 0.12371078181463013 0.1669136576105103 0.23644634156679015 0.3574143016120729 0.589319004913063 1.0795750388213625 2.0570916947398903 2.6569442073245604 1.6749367428248116 0.8709898932656854 0.4927038808971025 0.30849624153704924 0.20903618563778026 0.1502266820186879 0.11286975075833217 0.08777050885259896 0.07013929292833648 0.057300827672198455 0.047672208009393216 0.04027090049655778 0.0344619791000266 0.02982086993597283 0.02605519995256082 0.022958441606058772 0.020381422739929135 0.01821426297223774 0.016374601990583864 0.014799738769001156 0.013441266708211906 0.01226133976759786 0.01123002734145714 0.010323410070056573 0.009522188815697288 0.008810654796662341 0.008175917662895354 0.007607320304517221 0.007095990541228231 0.006634494316422953 0.006216564975067639 0.005836890143659928 0.00549094262866035 0.005174845247781923 0.0048852620341421574 0.004619310095626147 0.004374487768740016 0.00414861571474443; 0.14853118271457438 0.19360218524421224 0.2621797495216911 0.3732135013522173 0.5678610986270936 0.944407657666259 1.7450675448755357 3.2945578443571577 3.9947874291087895 2.418790606759786 1.2612861617795654 0.7201697967624341 0.45442367736983386 0.30970051154679945 0.22353509755861065 0.1685055354270234 0.1313752454162916 0.10520387618639207 0.0860938574888819 0.0717287252840356 0.060665219355115055 0.05196772774655005 0.045008912709399315 0.03935576182418519 0.03470177881993486 0.030825189142763776 0.027562374631854493 0.024790523018178495 0.02241601889071837 0.020366506674885078 0.018585357752204528 0.017027745220739847 0.015657814448345492 0.014446613655329999 0.013370560099471452 0.01241028925551664 0.011549781566933818 0.010775692876605122 0.010076836041215703 0.009443775967574439 0.008868510590520351 0.008344217576743833 0.007865051732026552 0.007425981842385972 0.007022658419610481 0.006651305841367626 0.006308633878300496 0.005991764727412878 0.005698172523177506 0.0054256329470820505 0.005172181054614204; 0.042551643530614205 0.0506161877420361 0.06118972834822153 0.07541981401191963 0.0951833930633281 0.12371078181463005 0.16691365761051016 0.23644634156678992 0.3574143016120724 0.5893190049130621 1.0795750388213603 2.0570916947398867 2.656944207324563 1.6749367428248163 0.8709898932656877 0.4927038808971036 0.30849624153704985 0.20903618563778062 0.15022668201868813 0.1128697507583323 0.08777050885259907 0.07013929292833657 0.05730082767219852 0.04767220800939327 0.04027090049655782 0.03446197910002663 0.02982086993597286 0.026055199952560844 0.02295844160605879 0.020381422739929156 0.018214262972237757 0.016374601990583878 0.014799738769001168 0.013441266708211913 0.01226133976759787 0.011230027341457147 0.010323410070056582 0.009522188815697295 0.008810654796662348 0.00817591766289536 0.007607320304517226 0.007095990541228234 0.006634494316422957 0.006216564975067644 0.005836890143659932 0.005490942628660353 0.005174845247781927 0.00488526203414216 0.00461931009562615 0.0043744877687400185 0.0041486157147444325]
 
     @test is ≈ is_ref
-end
+end