SPOInfo.cpp

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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
//////////////////////////////////////////////////////////////////////////////////////


#include "SPOInfo.h"
#include <limits>


namespace qmcplusplus
{
using RealType = QMCTraits::RealType;

const int SPOInfo::no_index       = -1;
const int SPOInfo::no_degeneracy  = -1;
const RealType SPOInfo::no_energy = std::numeric_limits<RealType>::max();

SPOInfo::SPOInfo()
{
  index      = no_index;
  degeneracy = no_degeneracy;
  energy     = no_energy;
}

SPOInfo::SPOInfo(int orb_index, RealType en)
{
  index      = orb_index;
  degeneracy = no_degeneracy;
  energy     = en;
}

void SPOInfo::report(const std::string& pad) const
{
  if (has_index())
    app_log() << pad << "index      = " << index << std::endl;
  else
    app_log() << pad << "index      = not assigned" << std::endl;
  if (has_energy())
    app_log() << pad << "energy     = " << energy << std::endl;
  else
    app_log() << pad << "energy     = not assigned" << std::endl;
  if (has_degeneracy())
    app_log() << pad << "degeneracy = " << degeneracy << std::endl;
  else
    app_log() << pad << "degeneracy = not assigned" << std::endl;
  app_log().flush();
}
} // namespace qmcplusplus