fixed some things

louisponet · Mar 20, 2019 · d049f33 · d049f33
1 parent b3cd8df
commit d049f33
Show file tree

Hide file tree

Showing 3 changed files with 7 additions and 4 deletions.
diff --git a/Project.toml b/Project.toml
@@ -10,6 +10,7 @@ Parameters = "d96e819e-fc66-5662-9728-84c9c7592b0a"
 RecipesBase = "3cdcf5f2-1ef4-517c-9805-6587b60abb01"
 StaticArrays = "90137ffa-7385-5640-81b9-e52037218182"
 BinDeps = "9e28174c-4ba2-5203-b857-d8d62c4213ee"
+DelimitedFiles = "8bb1440f-4735-579b-a4ab-409b98df4dab"
 Crayons = "a8cc5b0e-0ffa-5ad4-8c14-923d3ee1735f"
 Requires = "ae029012-a4dd-5104-9daa-d747884805df"
 Media = "e89f7d12-3494-54d1-8411-f7d8b9ae1f27"

diff --git a/deps/asset_init.jl b/deps/asset_init.jl
@@ -88,9 +88,11 @@ open(joinpath(@__DIR__, "wannier90flags.jl"), "w") do wf
                 continue
             else
                 s_line    = split(line, "::")
+                flagpart = s_line[end]
                 flag      = Symbol(strip(strip(split(split(split(s_line[end], "=")[1],"(")[1],"!")[1], ':')))
                 fl_type   = fort2julia(strip(split(s_line[1])[1],','))
-                writefbodyline(wf, 1, """Symbol("$flag") => $fl_type,""")
+                flagstring = occursin("(", flagpart) && occursin(")", flagpart) ? """Symbol("$flag") => Vector{$fl_type},""" : """Symbol("$flag") => $fl_type,"""
+                writefbodyline(wf, 1, flagstring)
             end
         end
     end

diff --git a/src/qe/fileio.jl b/src/qe/fileio.jl
@@ -294,16 +294,16 @@ Returns:
 function qe_read_projwfc(filename::String)
     lines  = readlines(filename) .|> strip
 
-    state_tuple = NamedTuple{(:atom_id, :wfc_id, :l, :m, :s), Tuple{Int, Int, Int, Int, Float64}}
+    state_tuple = NamedTuple{(:atom_id, :wfc_id, :l, :m, :s), Tuple{Int, Int, Float64, Float64, Float64}}
     states = state_tuple[]
     istart = findfirst(x -> x == "Atomic states used for projection", lines) + 3
     istop  = findnext(isempty, lines, istart) - 1
     for i = istart:istop
         l = replace_multiple(lines[i], "(" => " ", ")" => " ", "," => "", "=" => " ", ":" => "", "#" => " ") |> split
         if length(l) == 11
-            push!(states, state_tuple((parse.(Int,(l[4], l[7], l[9], l[11]))...,0.0)))
+            push!(states, state_tuple((parse.(Int,(l[4], l[7]))..., parse.(Float64,( l[9], l[11]))...,0.0)))
         else
-            push!(states, state_tuple((parse.(Int,(l[4], l[7], l[9], l[11]))...,parse(Float64,l[13]))))
+            push!(states, state_tuple((parse.(Int,(l[4], l[7]))..., parse.(Float64, (l[9], l[11], l[13]))...)))
         end
     end