ElectrostaticFE.h

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/******************************************************************************
 * Copyright (c) 2021.                                                        *
 * The Regents of the University of Michigan and DFT-EFE developers.          *
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 * This file is part of the DFT-EFE code.                                     *
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 *   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 dftefeElectrostaticFE_h
#define dftefeElectrostaticFE_h
 
#include <utils/MemorySpaceType.h>
#include <linearAlgebra/MultiVector.h>
#include <ksdft/Hamiltonian.h>
#include <ksdft/Energy.h>
#include <quadrature/QuadratureValuesContainer.h>
#include <basis/FEBasisDataStorage.h>
#include <vector>
 
namespace dftefe
{
  namespace ksdft
  {
    template <typename ValueTypeBasisData,
              typename ValueTypeBasisCoeff,
              typename ValueTypeWaveFnBasisData,
              utils::MemorySpace memorySpace,
              size_type          dim>
    class ElectrostaticFE
      : public Hamiltonian<
          linearAlgebra::blasLapack::scalar_type<
            linearAlgebra::blasLapack::scalar_type<ValueTypeBasisData,
                                                   ValueTypeWaveFnBasisData>,
            ValueTypeBasisCoeff>,
          memorySpace>,
        public Energy<linearAlgebra::blasLapack::real_type<
          linearAlgebra::blasLapack::scalar_type<ValueTypeBasisData,
                                                 ValueTypeBasisCoeff>>>
    {
    public:
      using ValueType =
        linearAlgebra::blasLapack::scalar_type<ValueTypeBasisData,
                                               ValueTypeBasisCoeff>;
      using Storage = utils::MemoryStorage<
        linearAlgebra::blasLapack::scalar_type<
          linearAlgebra::blasLapack::scalar_type<ValueTypeBasisData,
                                                 ValueTypeWaveFnBasisData>,
          ValueTypeBasisCoeff>,
        memorySpace>;
      using RealType = linearAlgebra::blasLapack::real_type<ValueType>;
 
    public:
      virtual ~ElectrostaticFE() = default;
      virtual void
      getLocal(Storage &cellWiseStorage) const = 0;
      virtual RealType
      getEnergy() const = 0;
      virtual std::vector<
        quadrature::QuadratureValuesContainer<ValueType, memorySpace>>
      getFunctionalDerivative() const = 0;
      virtual void
      applyNonLocal(linearAlgebra::MultiVector<ValueType, memorySpace> &X,
                    linearAlgebra::MultiVector<ValueType, memorySpace> &Y,
                    bool updateGhostX,
                    bool updateGhostY) const = 0;
      virtual bool
      hasLocalComponent() const = 0;
      virtual bool
      hasNonLocalComponent() const = 0;
 
    }; // end of class ElectrostaticFE
  }    // end of namespace ksdft
} // end of namespace dftefe
#endif // dftefeElectrostaticFE_h