Removed deprecated Unicode arguments

src/Antique.jl

@@ -1,5 +1,8 @@
 module Antique
 
+  # for Julia 1.1
+  import Base:@kwdef
+
   # Export public functions
   export energy
   export potential

src/CoulombTwoBody.jl

@@ -1,45 +1,23 @@
 module CoulombTwoBodies
 
+# for Julia 1.1
+import Base:@kwdef
+
 import ..AbstractModel
 import ..energy, ..potential, ..wavefunction, ..radial_function, ..laguerre_polynomial, ..spherical_harmonic, ..legendre_polynomial
 
 export CoulombTwoBody, energy, potential, wavefunction, radial_function, laguerre_polynomial, spherical_harmonic, legendre_polynomial
 
 # parameters
-struct CoulombTwoBody <: AbstractModel
-  z_1::Integer
-  z_2::Integer
-  m_1::Real
-  m_2::Real
-  m_e::Real
-  a_0::Real
-  E_h::Real
-  hbar::Real
-end
-
-function CoulombTwoBody(;
-  z_1::Integer=-1, z₁=z_1,
-  z_2::Integer=1, z₂=z_2,
-  m_1=1.0, m₁=m_1,
-  m_2=1.0, m₂=m_2,
-  m_e=1.0, mₑ=m_e,
-  a_0=1.0, a₀=a_0,
-  E_h=1.0, Eₕ=E_h,
-  hbar=1.0, ℏ=hbar,
-)
-  return CoulombTwoBody(z₁, z₂, m₁, m₂, mₑ, a₀, Eₕ, ℏ)
-end
-
-function Base.getproperty(model::CoulombTwoBody, sym::Symbol)
-  sym === :z₁ && return getfield(model, :z_1)
-  sym === :z₂ && return getfield(model, :z_2)
-  sym === :m₁ && return getfield(model, :m_1)
-  sym === :m₂ && return getfield(model, :m_2)
-  sym === :mₑ && return getfield(model, :m_e)
-  sym === :a₀ && return getfield(model, :a_0)
-  sym === :Eₕ && return getfield(model, :E_h)
-  sym === :ℏ && return getfield(model, :hbar)
-  return getfield(model, sym)
+@kwdef struct CoulombTwoBody <: AbstractModel
+  z_1::Integer = -1
+  z_2::Integer = 1
+  m_1::Real = 1.0
+  m_2::Real = 1.0
+  m_e::Real = 1.0
+  a_0::Real = 1.0
+  E_h::Real = 1.0
+  hbar::Real = 1.0
 end
 
 # potential

src/DeltaPotential.jl

@@ -1,29 +1,18 @@
 module DeltaPotentials
 
+# for Julia 1.1
+import Base:@kwdef
+
 import ..AbstractModel
 import ..energy, ..potential, ..wavefunction
 
 export DeltaPotential, energy, potential, wavefunction
 
 # parameters
-struct DeltaPotential <: AbstractModel
-  alpha::Real
-  m::Real
-  hbar::Real
-end
-
-function DeltaPotential(;
-  alpha=1.0, α=alpha,
-  m=1.0,
-  hbar=1.0, ℏ=hbar,
-)
-  return DeltaPotential(α, m, ℏ)
-end
-
-function Base.getproperty(model::DeltaPotential, sym::Symbol)
-  sym === :α && return getfield(model, :alpha)
-  sym === :ℏ && return getfield(model, :hbar)
-  return getfield(model, sym)
+@kwdef struct DeltaPotential <: AbstractModel
+  alpha::Real = 1.0
+  m::Real = 1.0
+  hbar::Real = 1.0
 end
 
 # potential

src/HarmonicOscillator.jl

@@ -1,28 +1,18 @@
 module HarmonicOscillators
 
+# for Julia 1.1
+import Base:@kwdef
+
 import ..AbstractModel
 import ..energy, ..potential, ..wavefunction, ..laguerre_polynomial
 
 export HarmonicOscillator, energy, potential, wavefunction, laguerre_polynomial
 
 # parameters
-struct HarmonicOscillator <: AbstractModel
-  k::Real
-  m::Real
-  hbar::Real
-end
-
-function HarmonicOscillator(;
-  k=1.0,
-  m=1.0,
-  hbar=1.0, ℏ=hbar,
-)
-  return HarmonicOscillator(k, m, ℏ)
-end
-
-function Base.getproperty(model::HarmonicOscillator, sym::Symbol)
-  sym === :ℏ && return getfield(model, :hbar)
-  return getfield(model, sym)
+@kwdef struct HarmonicOscillator <: AbstractModel
+  k::Real = 1.0
+  m::Real = 1.0
+  hbar::Real = 1.0
 end
 
 # potential

src/HydrogenAtom.jl

@@ -1,35 +1,20 @@
 module HydrogenAtoms
 
+# for Julia 1.1
+import Base:@kwdef
+
 import ..AbstractModel
 import ..energy, ..potential, ..wavefunction, ..radial_function, ..laguerre_polynomial, ..spherical_harmonic, ..legendre_polynomial
 
 export HydrogenAtom, energy, potential, wavefunction, radial_function, laguerre_polynomial, spherical_harmonic, legendre_polynomial
 
 # parameters
-struct HydrogenAtom <: AbstractModel
-  Z::Integer
-  m_e::Real
-  a_0::Real
-  E_h::Real
-  hbar::Real
-end
-
-function HydrogenAtom(;
-  Z::Integer=1,
-  m_e=1.0, mₑ=m_e,
-  a_0=1.0, a₀=a_0,
-  E_h=1.0, Eₕ=E_h,
-  hbar=1.0, ℏ=hbar,
-)
-  return HydrogenAtom(Z, mₑ, a₀, Eₕ, ℏ)
-end
-
-function Base.getproperty(model::HydrogenAtom, sym::Symbol)
-  sym === :mₑ && return getfield(model, :m_e)
-  sym === :a₀ && return getfield(model, :a_0)
-  sym === :Eₕ && return getfield(model, :E_h)
-  sym === :ℏ && return getfield(model, :hbar)
-  return getfield(model, sym)
+@kwdef struct HydrogenAtom <: AbstractModel
+  Z::Integer = 1
+  m_e::Real = 1.0
+  a_0::Real = 1.0
+  E_h::Real = 1.0
+  hbar::Real = 1.0
 end
 
 # potential

src/InfinitePotentialWell.jl

@@ -1,28 +1,18 @@
 module InfinitePotentialWells
 
+# for Julia 1.1
+import Base:@kwdef
+
 import ..AbstractModel
 import ..energy, ..potential, ..wavefunction
 
 export InfinitePotentialWell, energy, potential, wavefunction
 
 # parameters
-struct InfinitePotentialWell <: AbstractModel
-  L::Real
-  m::Real
-  hbar::Real
-end
-
-function InfinitePotentialWell(;
-  L=1.0,
-  m=1.0,
-  hbar=1.0, ℏ=hbar,
-)
-  return InfinitePotentialWell(L, m, ℏ)
-end
-
-function Base.getproperty(model::InfinitePotentialWell, sym::Symbol)
-  sym === :ℏ && return getfield(model, :hbar)
-  return getfield(model, sym)
+@kwdef struct InfinitePotentialWell <: AbstractModel
+  L::Real = 1.0
+  m::Real = 1.0
+  hbar::Real = 1.0
 end
 
 # potential

src/InfinitePotentialWell3D.jl

@@ -1,28 +1,18 @@
 module InfinitePotentialWell3Ds
 
+# for Julia 1.1
+import Base:@kwdef
+
 import ..AbstractModel
 import ..energy, ..potential, ..wavefunction
 
 export InfinitePotentialWell3D, energy, potential, wavefunction
 
 # parameters
-struct InfinitePotentialWell3D <: AbstractModel
-  L::Vector{Real}
-  m::Real
-  hbar::Real
-end
-
-function InfinitePotentialWell3D(;
-  L=[1.0, 1.0, 1.0],
-  m=1.0,
-  hbar=1.0, ℏ=hbar,
-)
-  return InfinitePotentialWell3D(Float64.(L), m, ℏ)
-end
-
-function Base.getproperty(model::InfinitePotentialWell3D, sym::Symbol)
-  sym === :ℏ && return getfield(model, :hbar)
-  return getfield(model, sym)
+@kwdef struct InfinitePotentialWell3D <: AbstractModel
+  L::Vector{Real} = [1.0, 1.0, 1.0]
+  m::Real = 1.0
+  hbar::Real = 1.0
 end
 
 # potential

src/MorsePotential.jl

@@ -1,5 +1,8 @@
 module MorsePotentials
 
+# for Julia 1.1
+import Base:@kwdef
+
 import ..AbstractModel
 import ..energy, ..potential, ..wavefunction, ..n_max, ..laguerre_polynomial
 
@@ -9,33 +12,12 @@ export MorsePotential, energy, potential, wavefunction, n_max, laguerre_polynomi
 using SpecialFunctions
 
 # parameters
-struct MorsePotential <: AbstractModel
-  r_e::Real
-  D_e::Real
-  k::Real
-  mu::Real
-  hbar::Real
-end
-
-function MorsePotential(;
-  # The simplified parameters for H2+
-  # F. M. Fernandez, J. Garcia, ChemistrySelect, 6, 9527-9534(2021) https://doi.org/10.1002/slct.202102509
-  # CODATA recommended values of the fundamental physical constants: 2018 https://physics.nist.gov/cgi-bin/cuu/Value?mpsme
-  r_e=2.0, rₑ=r_e,
-  D_e=0.1, Dₑ=D_e,
-  k=0.1,
-  mu=918.1, μ=mu,
-  hbar=1.0, ℏ=hbar,
-)
-  return MorsePotential(rₑ, Dₑ, k, μ, ℏ)
-end
-
-function Base.getproperty(model::MorsePotential, sym::Symbol)
-  sym === :rₑ && return getfield(model, :r_e)
-  sym === :Dₑ && return getfield(model, :D_e)
-  sym === :μ && return getfield(model, :mu)
-  sym === :ℏ && return getfield(model, :hbar)
-  return getfield(model, sym)
+@kwdef struct MorsePotential <: AbstractModel
+  r_e::Real = 2.0
+  D_e::Real = 0.1
+  k::Real = 0.1
+  mu::Real = 918.1
+  hbar::Real = 1.0
 end
 
 # potential

src/PoschlTeller.jl

@@ -1,5 +1,8 @@
 module PoschlTellers
 
+# for Julia 1.1
+import Base:@kwdef
+
 import ..AbstractModel
 import ..energy, ..potential, ..wavefunction, ..n_max, ..legendre_polynomial
 
@@ -9,30 +12,11 @@ export PoschlTeller, energy, potential, wavefunction, n_max, legendre_polynomial
 using SpecialFunctions
 
 # parameters
-struct PoschlTeller <: AbstractModel
-  lambda::Integer
-  m::Real
-  hbar::Real
-  x_0::Real
-end
-
-function PoschlTeller(;
-  lambda=1, λ=lambda,
-  m=1.0,
-  hbar=1.0, ℏ=hbar,
-  x_0=1.0, x₀=x_0,
-)
-  if !isinteger(λ)
-    throw(DomainError("λ = $λ", "λ must be an integer."))
-  end
-  return PoschlTeller(Int(λ), m, ℏ, x₀)
-end
-
-function Base.getproperty(model::PoschlTeller, sym::Symbol)
-  sym === :λ && return getfield(model, :lambda)
-  sym === :x₀ && return getfield(model, :x_0)
-  sym === :ℏ && return getfield(model, :hbar)
-  return getfield(model, sym)
+@kwdef struct PoschlTeller <: AbstractModel
+  lambda::Integer = 1
+  m::Real = 1.0
+  hbar::Real = 1.0
+  x_0::Real = 1.0
 end
 
 # potential

src/RigidRotor.jl

@@ -1,32 +1,19 @@
 module RigidRotors
 
+# for Julia 1.1
+import Base:@kwdef
+
 import ..AbstractModel
 import ..energy, ..potential, ..wavefunction, ..spherical_harmonic, ..legendre_polynomial
 
 export RigidRotor, energy, potential, wavefunction, spherical_harmonic, legendre_polynomial
 
 # parameters
-struct RigidRotor <: AbstractModel
-  m_1::Real
-  m_2::Real
-  R::Real
-  hbar::Real
-end
-
-function RigidRotor(;
-  m_1=1.0, m₁=m_1,
-  m_2=1.0, m₂=m_2,
-  R=1.0,
-  hbar=1.0, ℏ=hbar,
-)
-  return RigidRotor(m₁, m₂, R, ℏ)
-end
-
-function Base.getproperty(model::RigidRotor, sym::Symbol)
-  sym === :m₁ && return getfield(model, :m_1)
-  sym === :m₂ && return getfield(model, :m_2)
-  sym === :ℏ && return getfield(model, :hbar)
-  return getfield(model, sym)
+@kwdef struct RigidRotor <: AbstractModel
+  m_1::Real = 1.0
+  m_2::Real = 1.0
+  R::Real = 1.0
+  hbar::Real = 1.0
 end
 
 # potential