missed some atomic_mass...oops

ejmeitz · Sep 1, 2024 · a72046a · a72046a
1 parent 1b32d0e
commit a72046a
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Showing 3 changed files with 7 additions and 7 deletions.
diff --git a/src/Crystal.jl b/src/Crystal.jl
@@ -59,7 +59,7 @@ function get_coordinates(lattice::BravaisLattice{D}, basis, N::SVector{D}) where
         lattice_pt = Vector(lattice[n...])
         for (j,basis_atom) in enumerate(basis)
             atoms[N_basis_atoms*i + j] = Atom(atomic_symbol(basis_atom), lattice_pt .+ basis_atom.position;
-                charge = charge(basis_atom), mass = atomic_mass(basis_atom))
+                charge = charge(basis_atom), mass = mass(basis_atom))
         end
     end
 
@@ -101,9 +101,9 @@ AtomsBase.velocity(sys::Crystal) = missing #zeros(size(sys.atoms)) * u"m * s^-1"
 AtomsBase.velocity(sys::Crystal, i::Integer) = missing #zeros(size(sys.atoms[i]))* u"m * s^-1"
 AtomsBase.velocity(sys::Crystal, ::Colon) = missing
 
-AtomsBase.mass(sys::Crystal) = atomic_mass.(sys.atoms)
-AtomsBase.mass(sys::Crystal, i::Integer) = atomic_mass(sys.atoms[i])
-AtomsBase.mass(sys::Crystal, ::Colon) = atomic_mass.(sys.atoms)
+AtomsBase.mass(sys::Crystal) = mass.(sys.atoms)
+AtomsBase.mass(sys::Crystal, i::Integer) = mass(sys.atoms[i])
+AtomsBase.mass(sys::Crystal, ::Colon) = mass.(sys.atoms)
 
 AtomsBase.atomic_symbol(sys::Crystal) = atomic_symbol.(sys.atoms)
 AtomsBase.atomic_symbol(sys::Crystal, i::Integer) = atomic_symbol(sys.atoms[i])

diff --git a/src/atom.jl b/src/atom.jl
@@ -36,10 +36,10 @@ AtomsBase.velocity(atom::Atom) = missing
 AtomsBase.n_dimensions(::Atom{D}) where D = D
 
 function Base.show(io::IO, atom::Atom)
-    print(io, "Atom at $(round.(ustrip.(atom.position), digits = 3)), with charge: $(charge(atom)) and mass : $(atomic_mass(atom)) ")
+    print(io, "Atom at $(round.(ustrip.(atom.position), digits = 3)), with charge: $(charge(atom)) and mass : $(mass(atom)) ")
 end
 
 
 function Base.show(io::IO, ::MIME"text/plain", atom::Atom)
-    print(io, "Atom at $(round.(ustrip.(atom.position), digits = 3)), with charge: $(charge(atom)) and mass : $(atomic_mass(atom)) ")
+    print(io, "Atom at $(round.(ustrip.(atom.position), digits = 3)), with charge: $(charge(atom)) and mass : $(mass(atom)) ")
 end
diff --git a/src/bravais/3D_bravais.jl b/src/bravais/3D_bravais.jl
@@ -35,7 +35,7 @@ function FCC(a::T, atomic_symbol::Symbol, N::SVector{3}; charge = 0.0u"C") where
     return Crystal(lattice, basis, N)
 end
 
-function FCC(a, atomic_mass::Number, N::SVector{3}; charge = 0.0u"C") where T
+function FCC(a::T, atomic_mass::Number, N::SVector{3}; charge = 0.0u"C") where T
     float_type = typeof(ustrip(a))
     half_a = float_type(0.5)*a
     lattice = BravaisLattice(CubicLattice(a), Primitive())