I started looking into Molly.jl and attempting to run one its examples. I get the error described below. Insight would be nice to receive. Thx!
julia> using Molly
julia> n_atoms = 100
100
julia> atom_mass = 10.0u"u"
10.0 u
julia> atoms = [Atom(mass=atom_mass, ฯ=0.3u"nm", ฯต=0.2u"kJ * mol^-1") for i in 1:n_atoms]
100-element Vector{Atom{Quantity{Float64, ๐ ๐, Unitful.FreeUnits{(C,), ๐ ๐, nothing}}, Quantity{Float64, ๐, Unitful.FreeUnits{(u,), ๐, nothing}}, Quantity{Float64, ๐, Unitful.FreeUnits{(nm,), ๐, nothing}}, Quantity{Float64, ๐ยฒ ๐ ๐โปยน ๐โปยฒ, Unitful.FreeUnits{(kJ, molโปยน), ๐ยฒ ๐ ๐โปยน ๐โปยฒ, nothing}}}}:
Atom with index 1, charge=0.0 C, mass=10.0 u, ฯ=0.3 nm, ฯต=0.2 kJ molโปยน
โฆ
julia> box_size = SVector(2.0, 2.0, 2.0)u"nm"
3-element SVector{3, Quantity{Float64, ๐, Unitful.FreeUnits{(nm,), ๐, nothing}}} with indices SOneTo(3):
2.0 nm
2.0 nm
2.0 nm
julia> coords = place_atoms(n_atoms, box_size, 0.3u"nm")
ERROR: UndefVarError: place_atoms not defined
Stacktrace:
[1] top-level scope
@ REPL[6]:1
[2] top-level scope
@ ~/.julia/packages/CUDA/Axzxe/src/initialization.jl:52