Merge pull request QMCPACK#5558 from ye-luo/more-const

More const reference to ParticleSet in DT.

Author: prckent

src/Particle/SoaDistanceTableAA.h

@@ -27,7 +27,7 @@ struct SoaDistanceTableAA : public DTD_BConds<T, D, SC>, public DistanceTableAA
   /// actual memory for dist and displacements_
   aligned_vector<RealType> memory_pool_;
 
-  SoaDistanceTableAA(ParticleSet& target)
+  SoaDistanceTableAA(const ParticleSet& target)
       : DTD_BConds<T, D, SC>(target.getLattice()),
         DistanceTableAA(target, DTModes::ALL_OFF),
         num_targets_padded_(getAlignedSize<T>(num_targets_)),

src/Particle/SoaDistanceTableAAOMPTarget.h

@@ -65,7 +65,7 @@ struct SoaDistanceTableAAOMPTarget : public DTD_BConds<T, D, SC>, public Distanc
 
   ResourceHandle<DTAAMultiWalkerMem> mw_mem_handle_;
 
-  SoaDistanceTableAAOMPTarget(ParticleSet& target)
+  SoaDistanceTableAAOMPTarget(const ParticleSet& target)
       : DTD_BConds<T, D, SC>(target.getLattice()),
         DistanceTableAA(target, DTModes::ALL_OFF),
         num_targets_padded_(getAlignedSize<T>(num_targets_)),

src/Particle/SoaDistanceTableAB.h

@@ -25,7 +25,7 @@ namespace qmcplusplus
 template<typename T, unsigned D, int SC>
 struct SoaDistanceTableAB : public DTD_BConds<T, D, SC>, public DistanceTableAB
 {
-  SoaDistanceTableAB(const ParticleSet& source, ParticleSet& target)
+  SoaDistanceTableAB(const ParticleSet& source, const ParticleSet& target)
       : DTD_BConds<T, D, SC>(source.getLattice()),
         DistanceTableAB(source, target, DTModes::ALL_OFF),
         evaluate_timer_(createGlobalTimer(std::string("DTAB::evaluate_") + target.getName() + "_" + source.getName(),

src/Particle/SoaDistanceTableABOMPTarget.h

@@ -117,7 +117,7 @@ class SoaDistanceTableABOMPTarget : public DTD_BConds<T, D, SC>, public Distance
   }
 
 public:
-  SoaDistanceTableABOMPTarget(const ParticleSet& source, ParticleSet& target)
+  SoaDistanceTableABOMPTarget(const ParticleSet& source, const ParticleSet& target)
       : DTD_BConds<T, D, SC>(source.getLattice()),
         DistanceTableAB(source, target, DTModes::ALL_OFF),
         offload_timer_(createGlobalTimer(std::string("DTABOMPTarget::offload_") + name_, timer_level_fine)),

src/Particle/createDistanceTable.h

@@ -37,10 +37,10 @@ namespace qmcplusplus
  */
 
 ///free function to create a distable table of s-s
-std::unique_ptr<DistanceTable> createDistanceTableAA(ParticleSet& s, std::ostream& description);
-std::unique_ptr<DistanceTable> createDistanceTableAAOMPTarget(ParticleSet& s, std::ostream& description);
+std::unique_ptr<DistanceTable> createDistanceTableAA(const ParticleSet& s, std::ostream& description);
+std::unique_ptr<DistanceTable> createDistanceTableAAOMPTarget(const ParticleSet& s, std::ostream& description);
 
-inline std::unique_ptr<DistanceTable> createDistanceTable(ParticleSet& s, std::ostream& description)
+inline std::unique_ptr<DistanceTable> createDistanceTable(const ParticleSet& s, std::ostream& description)
 {
   // during P-by-P move, the cost of single particle evaluation of distance tables
   // is determined by the number of source particles.
@@ -52,13 +52,15 @@ inline std::unique_ptr<DistanceTable> createDistanceTable(ParticleSet& s, std::o
 }
 
 ///free function create a distable table of s-t
-std::unique_ptr<DistanceTable> createDistanceTableAB(const ParticleSet& s, ParticleSet& t, std::ostream& description);
+std::unique_ptr<DistanceTable> createDistanceTableAB(const ParticleSet& s,
+                                                     const ParticleSet& t,
+                                                     std::ostream& description);
 std::unique_ptr<DistanceTable> createDistanceTableABOMPTarget(const ParticleSet& s,
-                                                              ParticleSet& t,
+                                                              const ParticleSet& t,
                                                               std::ostream& description);
 
 inline std::unique_ptr<DistanceTable> createDistanceTable(const ParticleSet& s,
-                                                          ParticleSet& t,
+                                                          const ParticleSet& t,
                                                           std::ostream& description)
 {
   // during P-by-P move, the cost of single particle evaluation of distance tables

src/Particle/createDistanceTableAA.cpp

@@ -24,7 +24,7 @@ namespace qmcplusplus
  *\param s source/target particle set
  *\return index of the distance table with the name
  */
-std::unique_ptr<DistanceTable> createDistanceTableAA(ParticleSet& s, std::ostream& description)
+std::unique_ptr<DistanceTable> createDistanceTableAA(const ParticleSet& s, std::ostream& description)
 {
   using RealType = OHMMS_PRECISION;
   enum

src/Particle/createDistanceTableAAOMPTarget.cpp

@@ -24,7 +24,7 @@ namespace qmcplusplus
  *\param s source/target particle set
  *\return index of the distance table with the name
  */
-std::unique_ptr<DistanceTable> createDistanceTableAAOMPTarget(ParticleSet& s, std::ostream& description)
+std::unique_ptr<DistanceTable> createDistanceTableAAOMPTarget(const ParticleSet& s, std::ostream& description)
 {
   using RealType = OHMMS_PRECISION;
   enum

src/Particle/createDistanceTableAB.cpp

@@ -24,7 +24,9 @@ namespace qmcplusplus
  *\param s source/target particle set
  *\return index of the distance table with the name
  */
-std::unique_ptr<DistanceTable> createDistanceTableAB(const ParticleSet& s, ParticleSet& t, std::ostream& description)
+std::unique_ptr<DistanceTable> createDistanceTableAB(const ParticleSet& s,
+                                                     const ParticleSet& t,
+                                                     std::ostream& description)
 {
   using RealType = ParticleSet::RealType;
   enum

src/Particle/createDistanceTableABOMPTarget.cpp

@@ -25,7 +25,7 @@ namespace qmcplusplus
  *\return index of the distance table with the name
  */
 std::unique_ptr<DistanceTable> createDistanceTableABOMPTarget(const ParticleSet& s,
-                                                              ParticleSet& t,
+                                                              const ParticleSet& t,
                                                               std::ostream& description)
 {
   using RealType = ParticleSet::RealType;