EFEBasisDofHandlerDealii.h

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 * Copyright (c) 2021.                                                        *
 * The Regents of the University of Michigan and DFT-EFE developers.          *
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 * DFT-EFE is free software: you can redistribute it and/or modify            *
 *   it under the terms of the Lesser GNU General Public License as           *
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 *   See the Lesser GNU General Public License for more details.              *
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/*
 * @author Avirup Sircar
 */
 
#ifndef dftefeEFEBasisDofHandlerDealii_h
#  define dftefeEFEBasisDofHandlerDealii_h
 
#  include <utils/TypeConfig.h>
#  include <utils/Point.h>
#  include <basis/EFEBasisDofHandler.h>
#  include <memory>
#  include <deal.II/fe/fe_q.h>
#  include <basis/AtomIdsPartition.h>
#  include <atoms/AtomSphericalDataContainer.h>
#  include <utils/Exceptions.h>
#  include <utils/MPITypes.h>
#  include <utils/MPIWrapper.h>
#  include <linearAlgebra/LinAlgOpContext.h>
 
#  include <deal.II/dofs/dof_handler.h>
#  include <deal.II/matrix_free/matrix_free.h>
namespace dftefe
{
  namespace basis
  {
    template <typename ValueTypeBasisCoeff,
              typename ValueTypeBasisData,
              dftefe::utils::MemorySpace memorySpace,
              size_type                  dim>
    class EFEBasisDofHandlerDealii
      : public EFEBasisDofHandler<ValueTypeBasisCoeff,
                                  ValueTypeBasisData,
                                  memorySpace,
                                  dim>
    {
    public:
      EFEBasisDofHandlerDealii(
        std::shared_ptr<const EnrichmentClassicalInterfaceSpherical<
          ValueTypeBasisData,
          memorySpace,
          dim>>                    enrichmentClassicalInterface,
        const utils::mpi::MPIComm &mpiComm);
 
      EFEBasisDofHandlerDealii(
        std::shared_ptr<
          const EnrichmentClassicalInterfaceSpherical<ValueTypeBasisData,
                                                      memorySpace,
                                                      dim>>
          enrichmentClassicalInterface);
 
      ~EFEBasisDofHandlerDealii() = default;
 
      double
      getBasisFunctionValue(const size_type     basisId,
                            const utils::Point &point) const override;
      std::vector<double>
      getBasisFunctionDerivative(
        const size_type     basisId,
        const utils::Point &point,
        const size_type     derivativeOrder = 1) const override;
 
      void
      reinit(std::shared_ptr<const EnrichmentClassicalInterfaceSpherical<
               ValueTypeBasisData,
               memorySpace,
               dim>>                    enrichmentClassicalInterface,
             const utils::mpi::MPIComm &mpiComm);
 
      void
      reinit(std::shared_ptr<const EnrichmentClassicalInterfaceSpherical<
               ValueTypeBasisData,
               memorySpace,
               dim>> enrichmentClassicalInterface);
 
      std::shared_ptr<const TriangulationBase>
      getTriangulation() const override;
 
      size_type
      nLocalCells() const override;
      size_type
      nLocallyOwnedCells() const override;
 
      size_type
      nGlobalCells() const override;
      size_type
      getFEOrder(size_type cellId) const override;
 
      size_type
      nCellDofs(size_type cellId) const override;
 
      bool
      isVariableDofsPerCell() const override;
 
      size_type
      nLocalNodes() const override;
 
      std::vector<std::pair<global_size_type, global_size_type>>
      getLocallyOwnedRanges() const override;
 
      std::vector<std::pair<global_size_type, global_size_type>>
      getGlobalRanges() const override;
 
      std::map<BasisIdAttribute, size_type>
      getBasisAttributeToRangeIdMap() const override;
 
      global_size_type
      nGlobalNodes() const override;
 
      std::vector<size_type>
      getLocalNodeIds(size_type cellId) const override;
 
      std::vector<size_type>
      getGlobalNodeIds() const override;
 
      void
      getCellDofsGlobalIds(
        size_type                      cellId,
        std::vector<global_size_type> &vecGlobalNodeId) const override;
 
      const std::vector<global_size_type> &
      getBoundaryIds() const override;
 
      typename FEBasisDofHandler<ValueTypeBasisCoeff, memorySpace, dim>::
        FECellIterator
        beginLocallyOwnedCells() override;
 
      typename FEBasisDofHandler<ValueTypeBasisCoeff, memorySpace, dim>::
        FECellIterator
        endLocallyOwnedCells() override;
 
      typename FEBasisDofHandler<ValueTypeBasisCoeff, memorySpace, dim>::
        const_FECellIterator
        beginLocallyOwnedCells() const override;
 
      typename FEBasisDofHandler<ValueTypeBasisCoeff, memorySpace, dim>::
        const_FECellIterator
        endLocallyOwnedCells() const override;
 
      typename FEBasisDofHandler<ValueTypeBasisCoeff, memorySpace, dim>::
        FECellIterator
        beginLocalCells() override;
      typename FEBasisDofHandler<ValueTypeBasisCoeff, memorySpace, dim>::
        FECellIterator
        endLocalCells() override;
      typename FEBasisDofHandler<ValueTypeBasisCoeff, memorySpace, dim>::
        const_FECellIterator
        beginLocalCells() const override;
      typename FEBasisDofHandler<ValueTypeBasisCoeff, memorySpace, dim>::
        const_FECellIterator
        endLocalCells() const override;
      unsigned int
      getDim() const override;
 
      size_type
      nCumulativeLocallyOwnedCellDofs() const override;
 
      size_type
      nCumulativeLocalCellDofs() const override;
 
      // This assumes a linear cell mapping
      void
      getBasisCenters(
        std::map<global_size_type, utils::Point> &dofCoords) const override;
 
      // Additional functions for getting geometric constriants matrix
      // Additional functions for getting the communication pattern object
      // for MPI case
 
      std::shared_ptr<const ConstraintsLocal<ValueTypeBasisCoeff, memorySpace>>
      getIntrinsicConstraints() const override;
 
      // use this to add extra constraints on top of geometric constraints
      std::shared_ptr<ConstraintsLocal<ValueTypeBasisCoeff, memorySpace>>
      createConstraintsStart() const override;
 
      // call this after calling start
      void
      createConstraintsEnd(
        std::shared_ptr<ConstraintsLocal<ValueTypeBasisCoeff, memorySpace>>
          constraintsLocal) const override;
 
      std::shared_ptr<const utils::mpi::MPIPatternP2P<memorySpace>>
      getMPIPatternP2P() const override;
 
      bool
      isDistributed() const override;
 
      //
      // dealii specific functions
      //
      std::shared_ptr<const dealii::DoFHandler<dim>>
      getDoFHandler() const;
 
      const dealii::FiniteElement<dim> &
      getReferenceFE(const size_type cellId) const;
 
      // Enrichment functions with dealii mesh. The enrichedid is the cell local
      // id.
      double
      getEnrichmentValue(const size_type             cellId,
                         const size_type             cellLocalEnrichmentId,
                         const dftefe::utils::Point &point) const override;
 
      std::vector<double>
      getEnrichmentDerivative(const size_type             cellId,
                              const size_type             cellLocalEnrichmentId,
                              const dftefe::utils::Point &point) const override;
 
      std::vector<double>
      getEnrichmentHessian(const size_type             cellId,
                           const size_type             cellLocalEnrichmentId,
                           const dftefe::utils::Point &point) const override;
 
      std::vector<double>
      getEnrichmentValue(
        const size_type                          cellId,
        const std::vector<dftefe::utils::Point> &points) const override;
 
      std::vector<double>
      getEnrichmentDerivative(
        const size_type                          cellId,
        const std::vector<dftefe::utils::Point> &points) const override;
 
      std::vector<double>
      getEnrichmentHessian(
        const size_type                          cellId,
        const std::vector<dftefe::utils::Point> &points) const override;
 
      std::vector<global_size_type>
      getGhostEnrichmentGlobalIds() const override;
 
      global_size_type
      nGlobalEnrichmentNodes() const override;
 
      std::shared_ptr<const EnrichmentIdsPartition<dim>>
      getEnrichmentIdsPartition() const override;
 
      std::shared_ptr<
        const EnrichmentClassicalInterfaceSpherical<ValueTypeBasisData,
                                                    memorySpace,
                                                    dim>>
      getEnrichmentClassicalInterface() const override;
 
      bool
      isOrthogonalized() const override;
 
      size_type
      totalRanges() const override;
 
 
    private:
      std::shared_ptr<dealii::DoFHandler<dim>> d_dofHandler;
      bool                                     d_isVariableDofsPerCell;
      std::vector<std::shared_ptr<FECellBase>> d_localCells;
      std::vector<std::shared_ptr<FECellBase>> d_locallyOwnedCells;
      size_type d_numCumulativeLocallyOwnedCellDofs;
      size_type d_numCumulativeLocalCellDofs;
      std::shared_ptr<const EnrichmentIdsPartition<dim>>
        d_enrichmentIdsPartition;
      std::vector<std::vector<global_size_type>>
                d_overlappingEnrichmentIdsInCells;
      size_type d_totalRanges;
      std::vector<std::pair<global_size_type, global_size_type>>
        d_locallyOwnedRanges;
      std::vector<std::pair<global_size_type, global_size_type>> d_globalRanges;
      std::vector<global_size_type> d_ghostEnrichmentGlobalIds;
      std::shared_ptr<const atoms::AtomSphericalDataContainer>
                                d_atomSphericalDataContainer;
      std::vector<std::string>  d_atomSymbolVec;
      std::vector<utils::Point> d_atomCoordinatesVec;
      std::string               d_fieldName;
      bool                      d_isOrthogonalized;
      std::shared_ptr<
        const EnrichmentClassicalInterfaceSpherical<ValueTypeBasisData,
                                                    memorySpace,
                                                    dim>>
        d_enrichClassIntfce;
 
      std::vector<global_size_type> d_boundaryIds;
      bool                          d_isDistributed;
      std::shared_ptr<const utils::mpi::MPIPatternP2P<memorySpace>>
        d_mpiPatternP2P;
      std::shared_ptr<const ConstraintsLocal<ValueTypeBasisCoeff, memorySpace>>
        d_constraintsLocal;
 
      void
      getAllOwnedClassicalRanges(
        const std::pair<global_size_type, global_size_type> &locallyOwnedRanges,
        std::vector<std::pair<global_size_type, global_size_type>>
          &                        allOwnedRanges,
        const utils::mpi::MPIComm &mpiComm) const;
 
    }; // end of EFEBasisDofHandlerDealii
  }    // end of namespace basis
} // end of namespace dftefe
#  include "EFEBasisDofHandlerDealii.t.cpp"
#endif // dftefeEFEBasisDofHandlerDealii_h
//