From d52b55dab75e032e4f3096ec0147a19f71422e9e Mon Sep 17 00:00:00 2001
From: Cody Melton <cmelton@sandia.gov>
Date: Fri, 20 Sep 2024 12:24:44 -0600
Subject: [PATCH] add missing function call

---
 src/QMCHamiltonians/SOECPotential.cpp | 7 ++++++-
 1 file changed, 6 insertions(+), 1 deletion(-)

diff --git a/src/QMCHamiltonians/SOECPotential.cpp b/src/QMCHamiltonians/SOECPotential.cpp
index 0a0e047152..2f33365249 100644
--- a/src/QMCHamiltonians/SOECPotential.cpp
+++ b/src/QMCHamiltonians/SOECPotential.cpp
@@ -128,7 +128,12 @@ SOECPotential::Return_t SOECPotential::evaluateValueAndDerivatives(ParticleSet&
     const auto& displ = ble.getDisplRow(jel);
     for (int iat = 0; iat < num_ions_; iat++)
       if (pp_[iat] != nullptr && dist[iat] < pp_[iat]->getRmax())
-        value_ += pp_[iat]->evaluateValueAndDerivatives(P, iat, psi_, jel, dist[iat], -displ[iat], optvars, dlogpsi,
+        if (use_exact_spin_)
+          value_ += pp_[iat]->evaluateValueAndDerivativesExactSpinIntegration(P, iat, psi_, jel, dist[iat], -displ[iat], optvars, dlogpsi,
+                                                        dhpsioverpsi);
+
+        else
+          value_ += pp_[iat]->evaluateValueAndDerivatives(P, iat, psi_, jel, dist[iat], -displ[iat], optvars, dlogpsi,
                                                         dhpsioverpsi);
   }
   return value_;