Monebody bug.

JuliaMolSim · Jul 5, 2019 · 93cf6dd · 93cf6dd
1 parent 5521eac
commit 93cf6dd
Showing 1 changed file with 3 additions and 1 deletion.
diff --git a/src/onebody.jl b/src/onebody.jl
@@ -59,7 +59,7 @@ end
 evaluate(V::MOneBody,sp) = V.E0[sp]
 
 function site_energies(V::MOneBody{T}, at::Atoms) where {T}
-   E = zeros(T, 1, length(at))
+   E = zeros(T, length(at))
    for i in 1:length(at)
       E[i] = V(chemical_symbols(at)[i])
    end
@@ -82,6 +82,8 @@ function convert_str_2_symb(D::Dict{String,T}) where {T}
    return Dout
 end
 
+convert_str_2_symb(D::Dict{Symbol,T}) where {T} = D #already in the correct form
+
 MOneBody(D::Dict{String, T}) where {T} = MOneBody(convert_str_2_symb(D["E0"]))
 
 convert(::Val{:MOneBody}, D::Dict) = MOneBody(convert_str_2_symb(D["E0"]))