AtomIdsPartition.h

Go to the documentation of this file.

/******************************************************************************
 * Copyright (c) 2021.                                                        *
 * The Regents of the University of Michigan and DFT-EFE developers.          *
 *                                                                            *
 * This file is part of the DFT-EFE code.                                     *
 *                                                                            *
 * DFT-EFE is free software: you can redistribute it and/or modify            *
 *   it under the terms of the Lesser GNU General Public License as           *
 *   published by the Free Software Foundation, either version 3 of           *
 *   the License, or (at your option) any later version.                      *
 *                                                                            *
 * DFT-EFE is distributed in the hope that it will be useful, but             *
 *   WITHOUT ANY WARRANTY; without even the implied warranty                  *
 *   MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.                     *
 *   See the Lesser GNU General Public License for more details.              *
 *                                                                            *
 * You should have received a copy of the GNU Lesser General Public           *
 *   License at the top level of DFT-EFE distribution.  If not, see           *
 *   <https://www.gnu.org/licenses/>.                                         *
 ******************************************************************************/
 
/*
 * @author Avirup Sircar
 */
 
#ifndef dftefeAtomIdsPartition_h
#define dftefeAtomIdsPartition_h
 
#include <utils/Point.h>
#include <utils/TypeConfig.h>
#include <vector>
#include <string>
#include <utils/MPITypes.h>
#include <utils/MPIWrapper.h>
namespace dftefe
{
  namespace basis
  {
    template <unsigned int dim>
    class AtomIdsPartition
    {
    public:
      AtomIdsPartition(
        const std::vector<utils::Point> &             atomCoordinates,
        const std::vector<double> &                   minbound,
        const std::vector<double> &                   maxbound,
        const std::vector<std::vector<utils::Point>> &cellVerticesVector,
        const double                                  tolerance,
        const utils::mpi::MPIComm &                   comm);
 
      ~AtomIdsPartition() = default;
 
      std::vector<size_type>
      nAtomIdsInProcessor() const;
 
      std::vector<size_type>
      nAtomIdsInProcessorCumulative() const;
 
      std::vector<size_type>
      oldAtomIds() const;
 
      std::vector<size_type>
      newAtomIds() const;
 
      std::vector<size_type>
      locallyOwnedAtomIds() const;
 
    private:
      std::vector<size_type> d_nAtomIdsInProcessor;
      std::vector<size_type> d_nAtomIdsInProcessorCumulative;
      std::vector<size_type> d_oldAtomIds;
      std::vector<size_type> d_newAtomIds;
      std::vector<size_type> d_atomIdsInProcessor;
    }; // end of class AtomIdsPartition
  }    // end of namespace basis
} // end of namespace dftefe
#include "AtomIdsPartition.t.cpp"
#endif // dftefeAtomIdsPartition_h