Merge pull request #4891 from ye-luo/nlpp-cleanup

Reduce NonLocalECPComponent.h exposure in header files.
QMCPACK · Jan 2, 2024 · 6004d0c · 6004d0c
2 parents 9c4d925 + 05f7155
commit 6004d0c
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Showing 5 changed files with 8 additions and 1 deletion.
diff --git a/src/QMCHamiltonians/ECPotentialBuilder.cpp b/src/QMCHamiltonians/ECPotentialBuilder.cpp
@@ -46,6 +46,8 @@ ECPotentialBuilder::ECPotentialBuilder(QMCHamiltonian& h,
       targetPsi(psi)
 {}
 
+ECPotentialBuilder::~ECPotentialBuilder() = default;
+
 bool ECPotentialBuilder::put(xmlNodePtr cur)
 {
   if (localPot.empty())

diff --git a/src/QMCHamiltonians/ECPotentialBuilder.h b/src/QMCHamiltonians/ECPotentialBuilder.h
@@ -46,6 +46,7 @@ struct ECPotentialBuilder : public MPIObjectBase, public QMCTraits
   std::vector<std::unique_ptr<L2RadialPotential>> L2Pot;
 
   ECPotentialBuilder(QMCHamiltonian& h, ParticleSet& ions, ParticleSet& els, TrialWaveFunction& psi, Communicate* c);
+  ~ECPotentialBuilder();
 
   bool put(xmlNodePtr cur);
 

diff --git a/src/QMCHamiltonians/NonLocalECPotential.h b/src/QMCHamiltonians/NonLocalECPotential.h
@@ -20,10 +20,11 @@
 #include "Configuration.h"
 #include "QMCHamiltonians/NonLocalTOperator.h"
 #include "QMCHamiltonians/ForceBase.h"
-#include "QMCHamiltonians/NonLocalECPComponent.h"
+#include "QMCHamiltonians/OperatorBase.h"
 #include "Particle/NeighborLists.h"
 namespace qmcplusplus
 {
+class NonLocalECPComponent;
 template<typename T>
 struct NLPPJob;
 

diff --git a/src/QMCHamiltonians/tests/test_NonLocalECPotential.cpp b/src/QMCHamiltonians/tests/test_NonLocalECPotential.cpp
@@ -16,6 +16,7 @@
 #include "Particle/ParticleSet.h"
 #include "QMCHamiltonians/ECPComponentBuilder.h"
 #include "QMCHamiltonians/NonLocalECPotential.h"
+#include "QMCHamiltonians/NonLocalECPComponent.h"
 #include "TestListenerFunction.h"
 #include "Utilities/StlPrettyPrint.hpp"
 #include "Utilities/RuntimeOptions.h"

diff --git a/src/QMCHamiltonians/tests/test_SOECPotential.cpp b/src/QMCHamiltonians/tests/test_SOECPotential.cpp
@@ -20,8 +20,10 @@
 #include "QMCWaveFunctions/Jastrow/BsplineFunctor.h"
 #include "QMCWaveFunctions/Jastrow/RadialJastrowBuilder.h"
 #include "QMCHamiltonians/ECPComponentBuilder.h"
+#include "QMCHamiltonians/NonLocalECPComponent.h"
 #include "TestListenerFunction.h"
 #include "Utilities/RuntimeOptions.h"
+
 namespace qmcplusplus
 {
 namespace testing