Merge pull request #56 from cesmix-mit/kernels

Improve efficiency of kernel calculation
cesmix-mit · Dec 6, 2023 · 897fcf1 · 897fcf1
2 parents fe8273f + 646f12d
commit 897fcf1
Show file tree

Hide file tree

Showing 2 changed files with 3 additions and 1 deletion.
diff --git a/.gitignore b/.gitignore
@@ -11,3 +11,5 @@ docs/src/generated/
 
 # data too large for github
 examples/aHfO2/
+*.xyz
+*.csv
diff --git a/src/Kernels/kernels.jl b/src/Kernels/kernels.jl
@@ -89,7 +89,7 @@ function KernelMatrix(
     n = length(F)
     K = zeros(n, n)
     for i = 1:n
-        for j = 1:n
+        for j = i:n
             K[i, j] = compute_kernel(F[i], F[j], k)
         end
     end