CollectablesEstimator.h

Go to the documentation of this file.

//////////////////////////////////////////////////////////////////////////////////////
// This file is distributed under the University of Illinois/NCSA Open Source License.
// See LICENSE file in top directory for details.
//
// Copyright (c) 2016 Jeongnim Kim and QMCPACK developers.
//
// File developed by: Jeongnim Kim, jeongnim.kim@gmail.com, University of Illinois at Urbana-Champaign
//                    Jeremy McMinnis, jmcminis@gmail.com, University of Illinois at Urbana-Champaign
//                    Mark A. Berrill, berrillma@ornl.gov, Oak Ridge National Laboratory
//
// File created by: Jeongnim Kim, jeongnim.kim@gmail.com, University of Illinois at Urbana-Champaign
//////////////////////////////////////////////////////////////////////////////////////


#ifndef QMCPLUSPLUS_COLLECTABLES_ESTIMATOR_H
#define QMCPLUSPLUS_COLLECTABLES_ESTIMATOR_H
#include "Estimators/ScalarEstimatorBase.h"
#include "QMCHamiltonians/QMCHamiltonian.h"

namespace qmcplusplus
{
/** Handle an ensemble average of Hamiltonian components
*/
class CollectablesEstimator : public ScalarEstimatorBase
{
  ///save the reference hamiltonian
  const QMCHamiltonian& refH;

public:
  /** constructor
   * @param h QMCHamiltonian to define the components
   */
  CollectablesEstimator(QMCHamiltonian& h);
  //LocalEnergyEstimatorHDF(const LocalEnergyEstimatorHDF& est);

  /** implement virtual function
  */
  CollectablesEstimator* clone() override;

  void registerObservables(std::vector<ObservableHelper>& h5dec, hdf_archive& file) override;
  void add2Record(RecordListType& record) override;
  /** do nothing with accumulate */
  void accumulate(const MCWalkerConfiguration& W, WalkerIterator first, WalkerIterator last, RealType wgt) override {}

  inline void accumulate(const RefVector<MCPWalker>& walkers) override {}

  /** accumulate the collectables */
  inline void accumulate_all(const MCWalkerConfiguration::Buffer_t& data, RealType wgt)
  {
    for (int i = 0; i < data.size(); ++i)
      scalars[i](data[i], wgt);
  }

  std::string getName() const override { return "CollectiblesEstimator"; }

  const std::string type_str = "ColletiblesEstimatorNotSupportedInBatchedVersion";
  const std::string& getSubTypeStr() const override { return type_str; }
};
} // namespace qmcplusplus
#endif