Merge branch 'dev' into dev_kun

src/Model.jl

@@ -11,7 +11,7 @@ export Brillouin, get_latvec
 """
 Compute the inverse of the lattice. Require lattice to be square matrix
 """
-function _compute_inverse_lattice(lattice::Matrix{T}) where {T}
+function _compute_inverse_lattice(lattice::AbstractMatrix{T}) where {T}
     @assert size(lattice, 2) == size(lattice, 2)
     return inv(lattice)
 end
@@ -21,15 +21,15 @@ Compute the reciprocal lattice.
 We use the convention that the reciprocal lattice is the set of G vectors such
 that G ⋅ R ∈ 2π ℤ for all R in the lattice.
 """
-function _compute_recip_lattice(lattice::Matrix{T}) where {T}
-    return 2T(π) * _compute_inverse_lattice(lattice)
+function _compute_recip_lattice(lattice::AbstractMatrix{T}) where {T}
+    return 2T(π) * _compute_inverse_lattice(lattice')
 end
 
 """
 Return I-th lattice vector of lattice.
 Lattice vectors are specified column-wise in lattice::Matrix.
 """
-function get_latvec(lattice::Matrix{T}, I::Int) where {T}
+function get_latvec(lattice::AbstractMatrix{T}, I::Int) where {T}
     return view(lattice, :, I)
 end
 
@@ -307,4 +307,4 @@ function Base.show(io::IO, ::MIME"text/plain", model::Brillouin{T,DIM}) where {T
     end
 end
 
-end
+end

test/Model.jl

@@ -2,30 +2,36 @@ using BrillouinZoneMeshes.PointSymmetry: spglib_spacegroup_number, spglib_standa
 
 @testset "Brillouin" begin
     Brillouin = BrillouinZoneMeshes.Model.Brillouin
-
+    get_latvec = BrillouinZoneMeshes.Model.get_latvec
     # square lattice
     DIM = 2
     lattice = Matrix([1.0 0; 0 1]')
     br = Brillouin(lattice=lattice)
-    @test br.inv_lattice .* 2π ≈ br.recip_lattice
+    @test br.inv_lattice .* 2π ≈ br.recip_lattice'
     @test br.unit_cell_volume ≈ abs(det(lattice))
     @test br.recip_cell_volume ≈ 1 / abs(det(lattice)) * (2π)^DIM
 
     # triagular lattice
     DIM = 2
     lattice = Matrix([2.0 0; 1 sqrt(3)]')
     br = Brillouin(lattice=lattice)
-    @test br.inv_lattice .* 2π ≈ br.recip_lattice
+    @test br.inv_lattice .* 2π ≈ br.recip_lattice'
     @test br.unit_cell_volume ≈ abs(det(lattice))
     @test br.recip_cell_volume ≈ 1 / abs(det(lattice)) * (2π)^DIM
-
+    for i in 1:DIM
+        @test dot(get_latvec(br.recip_lattice,i),get_latvec(br.lattice,i)) ≈ 2π
+    end
     # 3d testing lattice
     DIM = 3
     lattice = Matrix([2.0 0 0; 1 sqrt(3) 0; 7 11 19]')
     br = Brillouin(lattice=lattice)
-    @test br.inv_lattice .* 2π ≈ br.recip_lattice
+    @test br.inv_lattice .* 2π ≈ br.recip_lattice'
     @test br.unit_cell_volume ≈ abs(det(lattice))
     @test br.recip_cell_volume ≈ 1 / abs(det(lattice)) * (2π)^DIM
+    for i in 1:DIM
+        @test dot(get_latvec(br.recip_lattice,i),get_latvec(br.lattice,i)) ≈ 2π
+    end
+
 end
 
 @testset "Standard Brillouin" begin

toolbox/default_colors.jl

@@ -0,0 +1,19 @@
+const TRANSPARENT_COL = Ref("rgba(255, 255, 255, 1)")
+
+# --- wigner-seitz colors ---
+# from https://flatuicolors.com/palette/gb
+const BZ_COL          = Ref("rgb(47,54,64)")    # "electromagnetic"
+const BASIS_COL       = Ref("rgb(39,60,117)")   # "pico void"
+const BASIS_LIGHT_COL = Ref("rgb(212,216,227)") # 20% BASIS_COL, 80% white
+const AXIS_COL        = Ref("rgb(194,54,22)")   # "harley davidson orange"
+const AXIS_LIGHT_COL  = Ref("rgb(242,215,208)") # 20% AXIS_COL, 80% white
+
+# --- k-path colors ---
+# from https://flatuicolors.com/palette/ca
+const KPATH_COL = Ref("rgb(95,39,205)")         # "nasu purple"
+
+# --- dispersion colors ---
+# from https://flatuicolors.com/palette/gb
+const BAND_COL     = Ref("rgb(39,60,117)")      # "mazarine blue"
+const KLINE_COL    = Ref("rgb(220,221,225)")    # "hint of pensive" (light gray)
+const ANNOTATE_COL = Ref("rgb(53, 59, 72)")     # "blue nights" (dark gray)