elecond.h

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#ifndef ELECOND_H
#define ELECOND_H
 
#include "source_base/matrix.h"
#include "source_basis/module_pw/pw_basis_k.h"
#include "source_cell/klist.h"
#include "source_cell/unitcell.h"
#include "source_estate/elecstate.h"
#include "source_pw/module_pwdft/VNL_in_pw.h"
#include "source_pw/module_pwdft/operator_pw/velocity_pw.h"
 
template<typename FPTYPE, typename Device>
class EleCond
{
  public:
    using resmem_complex_op = base_device::memory::resize_memory_op<std::complex<FPTYPE>, Device>;
    using delmem_complex_op = base_device::memory::delete_memory_op<std::complex<FPTYPE>, Device>;
    using syncmem_complex_d2h_op = base_device::memory::synchronize_memory_op<std::complex<FPTYPE>, base_device::DEVICE_CPU, Device>;
  public:
    EleCond(UnitCell* p_ucell_in,
            K_Vectors* p_kv_in,
            elecstate::ElecState* p_elec_in,
            ModulePW::PW_Basis_K* p_wfcpw_in,
            psi::Psi<std::complex<FPTYPE>, Device>* p_psi_in,
            pseudopot_cell_vnl* p_ppcell_in);
    ~EleCond(){};
 
    void KG(const int& smear_type,
            const double& fwhmin,
            const double& wcut,
            const double& dw_in,
            const double& dt_in,
            const bool& nonlocal,
            ModuleBase::matrix& wg);
 
  protected:
    pseudopot_cell_vnl* p_ppcell = nullptr;                  
    UnitCell* p_ucell = nullptr;                             
    ModulePW::PW_Basis_K* p_wfcpw = nullptr;                 
    K_Vectors* p_kv = nullptr;                               
    elecstate::ElecState* p_elec = nullptr;                  
    psi::Psi<std::complex<FPTYPE>, Device>* p_psi = nullptr; 
 
  protected:
    void jjresponse_ks(const int ik,
                       const int nt,
                       const double dt,
                       const double decut,
                       ModuleBase::matrix& wg,
                       hamilt::Velocity<FPTYPE, Device>& velop,
                       double* ct11,
                       double* ct12,
                       double* ct22);
    void calcondw(const int nt,
                  const double dt,
                  const int& smear_type,
                  const double fwhmin,
                  const double wcut,
                  const double dw_in,
                  double* ct11,
                  double* ct12,
                  double* ct22);
};
 
#endif // ELECOND_H