Merge pull request #16 from yoheisako/master

fixed mbar.jl
matsunagalab · Nov 24, 2023 · 9aa5c09 · 9aa5c09
2 parents 5d4a54e + ff5d22d
commit 9aa5c09
Showing 1 changed file with 2 additions and 1 deletion.
diff --git a/src/mbar.jl b/src/mbar.jl
@@ -324,7 +324,8 @@ function ChainRulesCore.rrule(::typeof(mbar_weight), u_kl, f_k, u_k)
         for k = 1:length(w_k)
             for n = 1:length(w_k[k])
                 #du_k[k][n] = dw_k[k][n] * (- w_k[k][n])
-                du_k[k][n] = dw_k[k][n] * (- w_k[k][n] + w_k[k][n]^2)
+                #du_k[k][n] = dw_k[k][n] * (- w_k[k][n] + w_k[k][n]^2)
+                du_k[k][n] = dw_k[k][n] * w_k[k][n]
             end
         end
         return NoTangent(), ZeroTangent(), NoTangent(), du_k