added Coulombic three-body systems

.gitignore

@@ -5,4 +5,5 @@
 /Manifest*.toml
 /docs/Manifest*.toml
 /docs/build/
-*.jld2
+*.jld2
+*.vscode

codecov.yml

@@ -0,0 +1,13 @@
+coverage:
+  status:
+    project:
+      default:
+        target: "50%"
+        threshold: "0%"
+    patch:
+      default:
+        target: "0%"
+        threshold: "0%"
+
+comment:
+  layout: "reach, diff, files"

docs/make.jl

@@ -1,23 +1,23 @@
 using FewBodyDB
 using Documenter
 
-DocMeta.setdocmeta!(FewBodyDB, :DocTestSetup, :(using FewBodyDB); recursive=true)
+DocMeta.setdocmeta!(FewBodyDB, :DocTestSetup, :(using FewBodyDB); recursive = true)
 
 makedocs(;
-    modules=[FewBodyDB],
-    authors="Shuhei Ohno, Martin Mikkelsen",
-    sitename="FewBodyDB.jl",
-    format=Documenter.HTML(;
-        canonical="https://JuliaFewBody.github.io/FewBodyDB.jl",
-        edit_link="main",
-        assets=String[],
+    modules = [FewBodyDB],
+    authors = "Shuhei Ohno, Martin Mikkelsen",
+    sitename = "FewBodyDB.jl",
+    format = Documenter.HTML(;
+        canonical = "https://JuliaFewBody.github.io/FewBodyDB.jl",
+        edit_link = "main",
+        assets = String[],
     ),
-    pages=[
+    pages = [
         "Home" => "index.md",
     ],
 )
 
 deploydocs(;
-    repo="github.com/JuliaFewBody/FewBodyDB.jl",
-    devbranch="main",
+    repo = "github.com/JuliaFewBody/FewBodyDB.jl",
+    devbranch = "main",
 )

src/FewBodyDB.jl

@@ -4,12 +4,12 @@ module FewBodyDB
 export @get, @bib
 
 # set dictionary
-REFS = Dict{String,String}()
-DATA = Dict{String,String}()
+REFS = Dict{String, String}()
+DATA = Dict{String, String}()
 
 # put new data (for development use only)
 macro put(expr)
-  DATA[join(string.(expr.args[begin:end-1]), "/")] = string(expr.args[end])
+    return DATA[join(string.(expr.args[begin:(end - 1)]), "/")] = string(expr.args[end])
 end
 
 # get data
@@ -21,31 +21,31 @@ julia> @get Bubin2005Jan, HD⁺, energy, (J=0, v=0)
 ```
 """
 macro get(expr)
-  if expr isa String
-    # @get "Bubin2005Jan/HD⁺/energy/(J = 0, v = 0)"
-    return :( FewBodyDB.get($expr) )
-  elseif expr isa Expr && expr.head == :string
-    # v = 0; @get "Bubin2005Jan/HD⁺/energy/(J = 0, v = $v)"
-    return :( FewBodyDB.get(string($(esc(expr)))) )
-  elseif expr isa Symbol
-    # k = "Bubin2005Jan/HD⁺/energy/(J = 0, v = 0)"; @get k
-    return :( FewBodyDB.get(string($(esc(expr)))) )
-  elseif expr isa Expr && expr.head == :tuple
-    # @get Bubin2005Jan, HD⁺, energy, (J=0, v=0)
-    return FewBodyDB.get(join(string.(expr.args), "/"))
-  else
-    # others
-    return :( FewBodyDB.get(string($(esc(expr)))) )
-  end
+    if expr isa String
+        # @get "Bubin2005Jan/HD⁺/energy/(J = 0, v = 0)"
+        return :(FewBodyDB.get($expr))
+    elseif expr isa Expr && expr.head == :string
+        # v = 0; @get "Bubin2005Jan/HD⁺/energy/(J = 0, v = $v)"
+        return :(FewBodyDB.get(string($(esc(expr)))))
+    elseif expr isa Symbol
+        # k = "Bubin2005Jan/HD⁺/energy/(J = 0, v = 0)"; @get k
+        return :(FewBodyDB.get(string($(esc(expr)))))
+    elseif expr isa Expr && expr.head == :tuple
+        # @get Bubin2005Jan, HD⁺, energy, (J=0, v=0)
+        return FewBodyDB.get(join(string.(expr.args), "/"))
+    else
+        # others
+        return :(FewBodyDB.get(string($(esc(expr)))))
+    end
 end
 
 function get(key)
-  return DATA[key]
+    return DATA[key]
 end
 
 # put new bibliography (for development use only)
 macro ref(expr)
-  REFS[string(expr.args[begin])] = string(expr.args[end])
+    return REFS[string(expr.args[begin])] = string(expr.args[end])
 end
 
 # get BibTeX entry
@@ -69,37 +69,37 @@ julia> println(@bib Bubin2005Jan)
 ```
 """
 macro bib(expr)
-  if expr isa String
-    # @bib "Bubin2005Jan"
-    return :( FewBodyDB.bib($expr) )
-  elseif expr isa Expr && expr.head == :string
-    # s = Bubin2005Jan; @bib "$s"
-    return :( FewBodyDB.bib(string($(esc(expr)))) )
-  elseif expr isa Symbol
-    try
-      # @bib Bubin2005Jan
-      return FewBodyDB.bib(string(expr))
-    catch
-      # k = "Bubin2005Jan"; @bib k
-      return :( FewBodyDB.bib(string($(esc(expr)))) )
+    if expr isa String
+        # @bib "Bubin2005Jan"
+        return :(FewBodyDB.bib($expr))
+    elseif expr isa Expr && expr.head == :string
+        # s = Bubin2005Jan; @bib "$s"
+        return :(FewBodyDB.bib(string($(esc(expr)))))
+    elseif expr isa Symbol
+        try
+            # @bib Bubin2005Jan
+            return FewBodyDB.bib(string(expr))
+        catch
+            # k = "Bubin2005Jan"; @bib k
+            return :(FewBodyDB.bib(string($(esc(expr)))))
+        end
+    else
+        # others
+        return :(FewBodyDB.bib(string($(esc(expr)))))
     end
-  else
-    # others
-    return :( FewBodyDB.bib(string($(esc(expr)))) )
-  end
 end
 
 function bib(key)
-  return REFS[key]
+    return REFS[key]
 end
 
 # list keys
 macro keys()
-  return collect(Base.keys(DATA))
+    return collect(Base.keys(DATA))
 end
 
 # update bibliography & database
 include("refs/Bubin2005Jan.jl")
 include("refs/Karr2006Apr.jl")
-
+include("refs/Suzuki2003Jul.jl")
 end

src/refs.bib

@@ -26,3 +26,15 @@ @article{Karr2006Apr
   month = apr,
   pages = {2095–2105}
 }
+
+@book{Suzuki2003Jul,
+  title={Stochastic variational approach to quantum-mechanical few-body problems},
+  volume = {54},
+  ISSN = {0940-7677},
+  url = {https://doi.org/10.1007/3-540-49541-X},
+  DOI = {10.1007/3-540-49541-X},
+  author={Suzuki, Yasuyuki and Varga, K{\'a}lm{\'a}n},
+  year={2002},
+  month = july,
+  publisher={Springer},
+}

src/refs/Bubin2005Jan.jl

@@ -1,19 +1,19 @@
 @ref Bubin2005Jan, """
-@article{Bubin2005Jan,
-  title = {Charge asymmetry in HD+},
-  volume = {122},
-  ISSN = {1089-7690},
-  url = {http://dx.doi.org/10.1063/1.1850905},
-  DOI = {10.1063/1.1850905},
-  number = {4},
-  journal = {The Journal of Chemical Physics},
-  publisher = {AIP Publishing},
-  author = {Bubin,  Sergiy and Bednarz,  Eugeniusz and Adamowicz,  Ludwik},
-  year = {2005},
-  month = jan 
-}
-"""
+    @article{Bubin2005Jan,
+      title = {Charge asymmetry in HD+},
+      volume = {122},
+      ISSN = {1089-7690},
+      url = {http://dx.doi.org/10.1063/1.1850905},
+      DOI = {10.1063/1.1850905},
+      number = {4},
+      journal = {The Journal of Chemical Physics},
+      publisher = {AIP Publishing},
+      author = {Bubin,  Sergiy and Bednarz,  Eugeniusz and Adamowicz,  Ludwik},
+      year = {2005},
+      month = jan 
+    }
+    """
 
-@put Bubin2005Jan, HD⁺, energy, (J=0, v=0), -0.5978979685
-@put Bubin2005Jan, HD⁺, energy, (J=0, v=1), -0.5891818291
-@put Bubin2005Jan, HD⁺, energy, (J=0, v=2), -0.5809037001
+@put Bubin2005Jan, HD⁺, energy, (J = 0, v = 0), -0.5978979685
+@put Bubin2005Jan, HD⁺, energy, (J = 0, v = 1), -0.5891818291
+@put Bubin2005Jan, HD⁺, energy, (J = 0, v = 2), -0.5809037001

src/refs/Suzuki2003Jul.jl

@@ -0,0 +1,36 @@
+@ref Suzuki2003Jul, """
+    @book{Suzuki2003Jul,
+      title={Stochastic variational approach to quantum-mechanical few-body problems},
+      volume = {54},
+      ISSN = {0940-7677},
+      url = {https://doi.org/10.1007/3-540-49541-X},
+      DOI = {10.1007/3-540-49541-X},
+      author={Suzuki, Yasuyuki and Varga, K{\'a}lm{\'a}n},
+      year={2002},
+      month = july,
+      publisher={Springer},
+    }
+    """
+
+@put Suzuki2003Jul, Ps⁻, energy, "¹Sᵉ", -0.2620050702328
+@put Suzuki2003Jul, ∞H⁻, energy, "¹Sᵉ", -0.527751016523
+@put Suzuki2003Jul, H⁻, energy, "³Pᵉ", -0.1252865
+@put Suzuki2003Jul, ttμ, energy, "¹Sᵉ", -112.9730179
+@put Suzuki2003Jul, ttμ, energy, "¹Pᵒ", -110.2621165
+@put Suzuki2003Jul, ttμ, energy, "¹Dᵉ", -105.982930
+@put Suzuki2003Jul, ttμ, energy, "¹Fᵒ", -101.43
+@put Suzuki2003Jul, tdμ, energy, "¹Sᵉ", -111.364511474
+@put Suzuki2003Jul, tdμ, energy, "¹Pᵒ", -108.179385
+@put Suzuki2003Jul, tdμ, energy, "¹Dᵉ", -103.408481
+@put Suzuki2003Jul, ∞He, energy, "¹Sᵉ", -2.903724376984 
+@put Suzuki2003Jul, He, energy, "¹Sᵉ", -2.903724372437
+@put Suzuki2003Jul, He, energy, "³Sᵉ", -2.175293782367
+@put Suzuki2003Jul, He, energy, "³Pᵒ", -2.123843086498
+@put Suzuki2003Jul, He, energy, "¹Dᵉ", -2.055620732852
+@put Suzuki2003Jul, ∞He, energy, "³Dᵉ", -2.055338993337 
+@put Suzuki2003Jul, He, energy, "¹Fᵒ", -2.031255144382
+@put Suzuki2003Jul, He, energy, "³Fᵒ", -2.031255168403
+@put Suzuki2003Jul, He, energy, "¹Gᵉ", -2.020000710898
+@put Suzuki2003Jul, He, energy, "³Gᵉ", -2.020000710925
+@put Suzuki2003Jul, p̄He⁺, energy, "L=31", -3.50763486
+@put Suzuki2003Jul, ∞Li, energy, "¹Sᵉ", -7.279913   

test/runtests.jl

@@ -4,8 +4,8 @@ using Test
 @testset "FewBodyDB.jl" begin
 
     # @put
-    FewBodyDB.@put Ohno2025Sep, H, energy, (n=1, l=0, m=0), -0.5
-    @test "-0.5" == (@get Ohno2025Sep, H, energy, (n=1, l=0, m=0))
+    FewBodyDB.@put Ohno2025Sep, H, energy, (n = 1, l = 0, m = 0), -0.5
+    @test "-0.5" == (@get Ohno2025Sep, H, energy, (n = 1, l = 0, m = 0))
 
     # @bib
     @test "@article{Bubin2005Jan" == (@bib Bubin2005Jan)[1:21]
@@ -15,19 +15,53 @@ using Test
     @test "@article{Bubin2005Jan" == FewBodyDB.bib("Bubin2005Jan")[1:21]
 
     # @get
-    @test "-0.5978979685" == @get Bubin2005Jan, HD⁺, energy, (J=0, v=0)
+    @test "-0.5978979685" == @get Bubin2005Jan, HD⁺, energy, (J = 0, v = 0)
     @test "-0.5978979685" == @get "Bubin2005Jan/HD⁺/energy/(J = 0, v = 0)"
     @test "-0.5978979685" == (k = "Bubin2005Jan/HD⁺/energy/(J = 0, v = 0)"; @get k)
     @test "-0.5978979685" == (v = 0; @get "Bubin2005Jan/HD⁺/energy/(J = 0, v = $v)")
 
-    @test "-0.5891818291" == @get Bubin2005Jan, HD⁺, energy, (J=0, v=1)
+    @test "-0.5891818291" == @get Bubin2005Jan, HD⁺, energy, (J = 0, v = 1)
     @test "-0.5891818291" == @get "Bubin2005Jan/HD⁺/energy/(J = 0, v = 1)"
     @test "-0.5891818291" == (k = "Bubin2005Jan/HD⁺/energy/(J = 0, v = 1)"; @get k)
     @test "-0.5891818291" == (v = 1; @get "Bubin2005Jan/HD⁺/energy/(J = 0, v = $v)")
 
-    @test "-0.59789796860903" == @get Karr2006Apr, HD⁺, energy, (J=0, v=0)
+    @test "-0.59789796860903" == @get Karr2006Apr, HD⁺, energy, (J = 0, v = 0)
     @test "-0.59789796860903" == @get "Karr2006Apr/HD⁺/energy/(J = 0, v = 0)"
     @test "-0.59789796860903" == (k = "Karr2006Apr/HD⁺/energy/(J = 0, v = 0)"; @get k)
     @test "-0.59789796860903" == (v = 0; @get "Karr2006Apr/HD⁺/energy/(J = 0, v = $v)")
 
+     # Suzuki2003Jul entries (updated)
+    @test "-0.2620050702328" == @get Suzuki2003Jul, Ps⁻, energy, "¹Sᵉ"
+    @test "-0.2620050702328" == @get "Suzuki2003Jul/Ps⁻/energy/¹Sᵉ"
+    @test "-0.2620050702328" == (k = "Suzuki2003Jul/Ps⁻/energy/¹Sᵉ"; @get k)
+
+    @test "-0.527751016523" == @get Suzuki2003Jul, ∞H⁻, energy, "¹Sᵉ"
+    @test "-0.527751016523" == @get "Suzuki2003Jul/∞H⁻/energy/¹Sᵉ"
+
+    @test "-0.1252865" == @get Suzuki2003Jul, H⁻, energy, "³Pᵉ"
+    @test "-0.1252865" == @get "Suzuki2003Jul/H⁻/energy/³Pᵉ"
+
+    @test "-112.9730179" == @get Suzuki2003Jul, ttμ, energy, "¹Sᵉ"
+    @test "-110.2621165" == @get Suzuki2003Jul, ttμ, energy, "¹Pᵒ"
+    @test "-105.98293" == @get Suzuki2003Jul, ttμ, energy, "¹Dᵉ"
+    @test "-101.43" == @get Suzuki2003Jul, ttμ, energy, "¹Fᵒ"
+
+    @test "-111.364511474" == @get Suzuki2003Jul, tdμ, energy, "¹Sᵉ"
+    @test "-108.179385" == @get Suzuki2003Jul, tdμ, energy, "¹Pᵒ"
+    @test "-103.408481" == @get Suzuki2003Jul, tdμ, energy, "¹Dᵉ"
+
+    @test "-2.903724376984" == @get Suzuki2003Jul, ∞He, energy, "¹Sᵉ"
+    @test "-2.903724372437" == @get Suzuki2003Jul, He, energy, "¹Sᵉ"
+    @test "-2.175293782367" == @get Suzuki2003Jul, He, energy, "³Sᵉ"
+    @test "-2.123843086498" == @get Suzuki2003Jul, He, energy, "³Pᵒ"
+    @test "-2.055620732852" == @get Suzuki2003Jul, He, energy, "¹Dᵉ"
+    @test "-2.055338993337" == @get Suzuki2003Jul, ∞He, energy, "³Dᵉ"
+    @test "-2.031255144382" == @get Suzuki2003Jul, He, energy, "¹Fᵒ"
+    @test "-2.031255168403" == @get Suzuki2003Jul, He, energy, "³Fᵒ"
+    @test "-2.020000710898" == @get Suzuki2003Jul, He, energy, "¹Gᵉ"
+    @test "-2.020000710925" == @get Suzuki2003Jul, He, energy, "³Gᵉ"
+
+    @test "-3.50763486" == @get Suzuki2003Jul, p̄He⁺, energy, "L=31"
+    @test "-7.279913" == @get Suzuki2003Jul, ∞Li, energy, "¹Sᵉ"
+
 end