Merge pull request #20 from arnab82/main

Update lookup table for binomial coefficients in TDMs.jl
nmayhall-vt · Jan 27, 2024 · bd78eac · bd78eac
2 parents 6a570ab + 0e9ecd6
commit bd78eac
Showing 1 changed file with 24 additions and 0 deletions.
diff --git a/src/FCI/TDMs.jl b/src/FCI/TDMs.jl
@@ -47,6 +47,9 @@ function compute_creation(no::Integer, bra_na, bra_nb, ket_na, ket_nb, bra_v::Ma
     _binomial = Array{Int,2}(undef,no+1,no+1)
     for i in 0:no
         for j in i:no
+            if binomial(j,i)>1E15
+                break
+            end
             _binomial[j+1,i+1] = binomial(j,i)
         end
     end
@@ -158,6 +161,9 @@ function compute_AA(no::Integer, bra_na, bra_nb, ket_na, ket_nb, bra_v::Matrix,
     _binomial = Array{Int,2}(undef,no+1,no+1)
     for i in 0:no
         for j in i:no
+            if binomial(j,i)>1E15
+                break
+            end
             _binomial[j+1,i+1] = binomial(j,i)
         end
     end
@@ -264,6 +270,9 @@ function compute_Aa(no::Integer, bra_na, bra_nb, ket_na, ket_nb, bra_v::Matrix,
     _binomial = Array{Int,2}(undef,no+1,no+1)
     for i in 0:no
         for j in i:no
+            if binomial(j,i)>1E15
+                break
+            end
             _binomial[j+1,i+1] = binomial(j,i)
         end
     end
@@ -369,6 +378,9 @@ function compute_Ab(no::Integer, bra_na, bra_nb, ket_na, ket_nb, bra_v::Matrix,
     _binomial = Array{Int,2}(undef,no+1,no+1)
     for i in 0:no
         for j in i:no
+            if binomial(j,i)>1E15
+                break
+            end
             _binomial[j+1,i+1] = binomial(j,i)
         end
     end
@@ -483,6 +495,9 @@ function compute_AB(no::Integer, bra_na, bra_nb, ket_na, ket_nb, bra_v::Matrix,
     _binomial = Array{Int,2}(undef,no+1,no+1)
     for i in 0:no
         for j in i:no
+            if binomial(j,i)>1E15
+                break
+            end
             _binomial[j+1,i+1] = binomial(j,i)
         end
     end
@@ -595,6 +610,9 @@ function compute_AAa(no::Integer, bra_na, bra_nb, ket_na, ket_nb, bra_v::Matrix,
     _binomial = Array{Int,2}(undef,no+1,no+1)
     for i in 0:no
         for j in i:no
+            if binomial(j,i)>1E15
+                break
+            end
             _binomial[j+1,i+1] = binomial(j,i)
         end
     end
@@ -696,6 +714,9 @@ function compute_ABa(no::Integer, bra_na, bra_nb, ket_na, ket_nb, bra_v::Matrix,
     _binomial = Array{Int,2}(undef,no+1,no+1)
     for i in 0:no
         for j in i:no
+            if binomial(j,i)>1E15
+                break
+            end
             _binomial[j+1,i+1] = binomial(j,i)
         end
     end
@@ -808,6 +829,9 @@ function compute_ABb(no::Integer, bra_na, bra_nb, ket_na, ket_nb, bra_v::Matrix,
     _binomial = Array{Int,2}(undef,no+1,no+1)
     for i in 0:no
         for j in i:no
+            if binomial(j,i)>1E15
+                break
+            end
             _binomial[j+1,i+1] = binomial(j,i)
         end
     end