ExcTauMGGAClass.h

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#ifndef DFTEFE_ExcTauMGGAClass_H
#define DFTEFE_ExcTauMGGAClass_H
 
#include <xc.h>
#include <ksdft/ExcSSDFunctionalBaseClass.h>
 
namespace dftefe
{
  namespace ksdft
  {
    template <dftefe::utils::MemorySpace memorySpace>
    class ExcTauMGGAClass : public ExcSSDFunctionalBaseClass<memorySpace>
    {
    public:
      ExcTauMGGAClass(std::shared_ptr<xc_func_type> &funcXPtr,
                      std::shared_ptr<xc_func_type> &funcCPtr,
                      std::string                    XCType);
 
      ~ExcTauMGGAClass();
 
      void
      checkInputOutputDataAttributesConsistency(
        const std::vector<xcRemainderOutputDataAttributes>
          &outputDataAttributes) const override;
 
    private:
      void
      computeRhoTauDependentXCData(
        const std::unordered_map<
          DensityDescrAttr,
          typename ExcSSDFunctionalBaseClass<memorySpace>::AttrStorage>
          &densityAttrVals,
        const std::unordered_map<
          WfcDescrAttr,
          typename ExcSSDFunctionalBaseClass<memorySpace>::AttrStorage>
          &wfcAttrVals,
        std::unordered_map<
          xcRemainderOutputDataAttributes,
          dftefe::utils::MemoryStorage<double,
                                       dftefe::utils::MemorySpace::HOST>>
          &xDataOut,
        std::unordered_map<
          xcRemainderOutputDataAttributes,
          dftefe::utils::MemoryStorage<double,
                                       dftefe::utils::MemorySpace::HOST>>
          &cDataout) const override;
 
      std::shared_ptr<xc_func_type> d_funcXPtr;
      std::shared_ptr<xc_func_type> d_funcCPtr;
      std::string                   d_XCType;
    };
  } // namespace ksdft
} // namespace dftefe
 
#endif