From 9639352d250effc47ed6254541b1776cfe3d0105 Mon Sep 17 00:00:00 2001
From: Nick Mayhall <nmayhall@vt.edu>
Date: Sun, 30 Apr 2023 11:13:54 -0400
Subject: [PATCH] fixed bug with openshell slater determinant case

---
 src/incore_cmf.jl | 6 +-----
 1 file changed, 1 insertion(+), 5 deletions(-)

diff --git a/src/incore_cmf.jl b/src/incore_cmf.jl
index 1faeb25..c020f79 100644
--- a/src/incore_cmf.jl
+++ b/src/incore_cmf.jl
@@ -115,15 +115,11 @@ function cmf_ci_iteration(ints::InCoreInts{T}, clusters::Vector{MOCluster}, in_r
                 db = Matrix(1.0I, no, no)
             end
             
-            if spin_avg
-                da = .5*(da + db)
-                db .= da
-            end
-
             d1 = RDM1(da,db)
             d2 = RDM2(d1)
             
             e = compute_energy(ints_i, d1)
+            
             verbose < 2 || @printf(" Slater Det Energy: %12.8f\n", e)
         else
             #