ReferencePoints.h

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//////////////////////////////////////////////////////////////////////////////////////
// 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: Jaron T. Krogel, krogeljt@ornl.gov, Oak Ridge National Laboratory
//                    Mark A. Berrill, berrillma@ornl.gov, Oak Ridge National Laboratory
//
// File created by: Jaron T. Krogel, krogeljt@ornl.gov, Oak Ridge National Laboratory
//////////////////////////////////////////////////////////////////////////////////////


#ifndef QMCPLUSPLUS_REFERENCE_POINTS_H
#define QMCPLUSPLUS_REFERENCE_POINTS_H

#include <Configuration.h>
#include "OhmmsData/OhmmsElementBase.h"
#include "Particle/ParticleSet.h"
#include "QMCHamiltonians/ObservableHelper.h"
#include "OhmmsPETE/Tensor.h"

namespace qmcplusplus
{
class ReferencePoints : public QMCTraits
{
public:
  using Point    = TinyVector<RealType, DIM>;
  using Tensor_t = Tensor<RealType, DIM>;

  std::map<std::string, Point> points;
  Tensor_t axes;

  bool put(xmlNodePtr cur, ParticleSet& P, std::vector<ParticleSet*>& Pref);
  bool put(ParticleSet& P, std::vector<ParticleSet*>& Pref);
  void write_description(std::ostream& os, std::string& indent);
  void save(std::vector<ObservableHelper>& h5desc, hdf_archive& file) const;

private:
  enum Coordinate
  {
    cellC = 0,
    cartesianC,
    ndirections,
    nodir
  };
  Coordinate coordinate;
};


} // namespace qmcplusplus


#endif