cleanup and reading

louisponet · Jul 7, 2019 · e5f39e7 · e5f39e7
1 parent 349e10a
commit e5f39e7
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Showing 3 changed files with 5 additions and 5 deletions.
diff --git a/src/API.jl b/src/API.jl
@@ -1,7 +1,6 @@
 export Structure, Atom, Pseudo, DFTU
 #Units exported
 export Ang, e₀, kₑ, a₀, Eₕ, Ry 
-export Vec3, Point3, Mat3
 
 include("inputAPI.jl")
 export DFInput

diff --git a/src/display/overloads.jl b/src/display/overloads.jl
@@ -18,10 +18,11 @@ show(io::IO, data::Vector{InputData}) = map(x-> show(io, x), data)
 function show(io::IO, band::DFBand{T}) where T <: AbstractFloat
     df_show_type(io, band)
     string = """
-    k_points of length $(length(band.k_points_cryst)):
+    k_points of length $(length(band.k_points_cart)):
     cart:    $(band.k_points_cart[1]) -> $(band.k_points_cart[end])
-    cryst:   $(band.k_points_cryst[1]) -> $(band.k_points_cryst[end])
-    eigvals: $(band.eigvals[1]) -> $(band.eigvals[end])
+    """
+    !isempty(band.k_points_cryst) && (string *= "cryst:   $(band.k_points_cryst[1]) -> $(band.k_points_cryst[end])\n")
+    string *= """eigvals: $(band.eigvals[1]) -> $(band.eigvals[end])
     extra:   $(band.extra)
     """
     dfprintln(io, string)

diff --git a/src/qe/fileio.jl b/src/qe/fileio.jl
@@ -206,7 +206,7 @@ function qe_read_output(input::DFInput{QE}, args...; kwargs...)
                 push!(out[:yticks], ticks)
             end
         else
-            out[:pdos] = NamedTuple{(:energies, :values), Tuple{Vector{Float64}, Vector{Float64}}}[]
+            out[:pdos] = NamedTuple{(:energies, :values), Tuple{Vector{Float64}, Matrix{Float64}}}[]
             for f in pdos_files
                 energs, vals = qe_read_pdos(joinpath(dir(input), f), args...; kwargs...)
                 push!(out[:pdos], (energies=energs, values=vals))