ExcManager.h

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// ---------------------------------------------------------------------
//
// Copyright (c) 2017-2025  The Regents of the University of Michigan and DFT-FE
// authors.
//
// This file is part of the DFT-FE code.
//
// The DFT-FE code is free software; you can use it, redistribute
// it, and/or modify it under the terms of the GNU Lesser General
// Public License as published by the Free Software Foundation; either
// version 2.1 of the License, or (at your option) any later version.
// The full text of the license can be found in the file LICENSE at
// the top level of the DFT-FE distribution.
//
// ---------------------------------------------------------------------
//
 
#ifndef DFTEFE_EXCMANAGER_H
#define DFTEFE_EXCMANAGER_H
 
#include <xc.h>
#include <xc_funcs.h>
#include <ksdft/ExcSSDFunctionalBaseClass.h>
namespace dftefe
{
  namespace ksdft
  {
    template <dftefe::utils::MemorySpace memorySpace>
    class ExcManager
    {
    public:
      ExcManager();
 
      ~ExcManager();
 
      void
      clear();
 
 
      void
      init(std::string XCType, const bool printXCInfo = true);
 
      ExcSSDFunctionalBaseClass<memorySpace> *
      getExcSSDFunctionalObj();
 
 
      const ExcSSDFunctionalBaseClass<memorySpace> *
      getExcSSDFunctionalObj() const;
 
      const std::shared_ptr<ExcSSDFunctionalBaseClass<memorySpace>> &
      getSSDSharedObj() const;
 
      std::shared_ptr<ExcSSDFunctionalBaseClass<memorySpace>> &
      getSSDSharedObj();
 
 
    private:
      std::shared_ptr<xc_func_type> d_funcXPtr;
      std::shared_ptr<xc_func_type> d_funcCPtr;
 
      std::shared_ptr<ExcSSDFunctionalBaseClass<memorySpace>> d_excObj;
    };
  } // namespace ksdft
} // namespace dftefe
 
#endif // DFTEFE_EXCMANAGER_H