From ba3d6123eeea9931a327c85635e2cd0c7f5b96be Mon Sep 17 00:00:00 2001
From: Eduard Valeyev <eduard@valeyev.net>
Date: Fri, 17 Nov 2023 12:19:11 -0500
Subject: [PATCH] =?UTF-8?q?[=CF=83pV=CF=83p]=20completed=20W0=20CR?=
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---
 .../libint/comp_1_\317\203pV\317\203p_1.h"    | 19 +++++++++++++++----
 1 file changed, 15 insertions(+), 4 deletions(-)

diff --git "a/src/bin/libint/comp_1_\317\203pV\317\203p_1.h" "b/src/bin/libint/comp_1_\317\203pV\317\203p_1.h"
index 4f2fa68fc..37475ef5c 100644
--- "a/src/bin/libint/comp_1_\317\203pV\317\203p_1.h"
+++ "b/src/bin/libint/comp_1_\317\203pV\317\203p_1.h"
@@ -65,12 +65,23 @@ CR_1_σpVσp_1<F>::CR_1_σpVσp_1(const SafePtr< TargetType >& Tint,
                GenIntegralSet_1_1<BasisFunctionType, ElecPotOper, mType>>
       factory(this);
 
-  F Dx_a{a}; Dx_a.deriv().inc(1);
-  F Dx_b{b}; Dx_b.deriv().inc(1);
+  constexpr auto x = 0;
+  constexpr auto y = 1;
+  constexpr auto z = 2;
+
+  // (a|W0|b) = (d a/dAx | V | d b/dBx) + (d a/dAy | V | d b/dBy) + (d a/dAz | V | d b/dBz)
+  F Dx_a{a}; Dx_a.deriv().inc(x);
+  F Dx_b{b}; Dx_b.deriv().inc(x);
   auto Dx_a_V_Dx_b = factory.make_child(Dx_a, Dx_b, zero_m);
+  F Dy_a{a}; Dy_a.deriv().inc(y);
+  F Dy_b{b}; Dy_b.deriv().inc(y);
+  auto Dy_a_V_Dy_b = factory.make_child(Dy_a, Dy_b, zero_m);
+  F Dz_a{a}; Dz_a.deriv().inc(z);
+  F Dz_b{b}; Dz_b.deriv().inc(z);
+  auto Dz_a_V_Dz_b = factory.make_child(Dz_a, Dz_b, zero_m);
   if (is_simple()) {
-    expr_ = Dx_a_V_Dx_b;  // smth like this
-    nflops_ += 0;
+    expr_ = Scalar(-1)*(Dx_a_V_Dx_b + Dy_a_V_Dy_b + Dz_a_V_Dz_b);  // smth like this
+    nflops_ += 3;
   }
 } // CR_1_σpVσp_1<F>::CR_1_σpVσp_1