start fixing build errors

Signed-off-by: Steven Hahn <[email protected]>

src/Particle/CMakeLists.txt

@@ -16,7 +16,6 @@ set(PARTICLE
     InitMolecularSystem.cpp
     InitMolecularSystemT.cpp
     SimulationCellT.cpp
-    ParticleSetPool.cpp
     ParticleSetPoolT.cpp
     ParticleSetT.cpp
     PSdispatcher.cpp

src/Particle/ParticleSetPool.h

@@ -18,107 +18,13 @@
 #ifndef QMCPLUSPLUS_PARTICLESETPOOL_H
 #define QMCPLUSPLUS_PARTICLESETPOOL_H
 
-#include "OhmmsData/OhmmsElementBase.h"
-#include "Particle/MCWalkerConfiguration.h"
-#include "Message/MPIObjectBase.h"
-#include "SimulationCell.h"
+#include "Configuration.h"
+#include "Particle/ParticleSetPoolT.h"
 
 namespace qmcplusplus
 {
-/** @ingroup qmcapp
- * @brief Manage a collection of ParticleSet objects
- *
- * This object handles \<particleset\> elements and
- * functions as a builder class for ParticleSet objects.
- */
-class ParticleSetPool : public MPIObjectBase
-{
-public:
-  using PoolType = std::map<std::string, const std::unique_ptr<ParticleSet>>;
-
-  /** constructor
-   * @param aname xml tag
-   */
-  ParticleSetPool(Communicate* c, const char* aname = "particleset");
-  ~ParticleSetPool();
-
-  ParticleSetPool(const ParticleSetPool&)            = delete;
-  ParticleSetPool& operator=(const ParticleSetPool&) = delete;
-  ParticleSetPool(ParticleSetPool&& pset) noexcept;
-  ParticleSetPool& operator=(ParticleSetPool&&) = default;
-
-  bool put(xmlNodePtr cur);
-  bool get(std::ostream& os) const;
-  void reset();
-
-  void output_particleset_info(Libxml2Document& doc, xmlNodePtr root);
-
-  /** initialize the supercell shared by all the particle sets
-   *
-   *  return value is never checked anywhere
-   *  side effect simulation_cell_ UPtr<ParticleLayout> is set
-   *  to particle layout created on heap.
-   *  This is later directly assigned to pset member variable Lattice.
-   */
-  bool readSimulationCellXML(xmlNodePtr cur);
-
-  ///return true, if the pool is empty
-  inline bool empty() const { return myPool.empty(); }
-
-  /** add a ParticleSet* to the pool with its ownership transferred
-   * ParticleSet built outside the ParticleSetPool must be constructed with
-   * the simulation cell from this->simulation_cell_.
-   */
-  void addParticleSet(std::unique_ptr<ParticleSet>&& p);
-
-  /** get a named ParticleSet
-   * @param pname name of the ParticleSet
-   * @return a MCWalkerConfiguration object with pname
-   *
-   * When the named ParticleSet is not in this object, return 0.
-   */
-  ParticleSet* getParticleSet(const std::string& pname);
-
-  /** get a named MCWalkerConfiguration
-   * @param pname name of the MCWalkerConfiguration
-   * @return a MCWalkerConfiguration object with pname
-   *
-   * When the named MCWalkerConfiguration is not in this object, return 0.
-   */
-  MCWalkerConfiguration* getWalkerSet(const std::string& pname);
-
-  /** get the Pool object
-   */
-  inline const PoolType& getPool() const { return myPool; }
-
-  /// get simulation cell
-  const auto& getSimulationCell() const { return *simulation_cell_; }
-
-  /// set simulation cell
-  void setSimulationCell(const SimulationCell& simulation_cell) { *simulation_cell_ = simulation_cell; }
 
-  /** randomize a particleset particleset/@random='yes' && particleset@random_source exists
-   */
-  void randomize();
+using ParticleSetPool = ParticleSetPoolT<QMCTraits::ValueType>;
 
-private:
-  /** global simulation cell
-   *
-   * updated by
-   * - readSimulationCellXML() parsing <simulationcell> element
-   * - setSimulationCell()
-   */
-  std::unique_ptr<SimulationCell> simulation_cell_;
-  /** List of ParticleSet owned
-   *
-   * Each ParticleSet has to have a unique name which is used as a key for the map.
-   */
-  PoolType myPool;
-  /** xml node for random initialization.
-   *
-   * randomize() process initializations just before starting qmc sections
-   */
-  std::vector<xmlNodePtr> randomize_nodes;
-};
 } // namespace qmcplusplus
 #endif

src/Particle/ParticleSetT.h

@@ -83,7 +83,6 @@ class ParticleSetT : public OhmmsElementBase
     using ParticleIndex = typename LatticeParticleTraits<T>::ParticleIndex;
     using ParticlePos = typename LatticeParticleTraits<T>::ParticlePos;
     using ParticleScalar = typename LatticeParticleTraits<T>::ParticleScalar;
-    using ParticleTensor = ParticleAttrib<Tensor_t>;
     using ParticleGradient =
         typename LatticeParticleTraits<T>::ParticleGradient;
     using ParticleLaplacian =