exx_helper_base.h

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#ifndef EXX_HELPER_BASE_H
#define EXX_HELPER_BASE_H
 
#include "source_base/matrix.h"
 
class Charge;
class UnitCell;
struct Input_para;
 
class Exx_HelperBase
{
  public:
    Exx_HelperBase() = default;
    virtual ~Exx_HelperBase() = default;
 
    virtual void init(const UnitCell& ucell, const Input_para& inp, const ModuleBase::matrix& wg) = 0;
 
    virtual void before_scf(void* p_hamilt, void* psi, const Input_para& inp) = 0;
 
    virtual bool iter_finish(void* p_elec, Charge* p_charge, void* psi,
                             UnitCell& ucell, const Input_para& inp,
                             bool& conv_esolver, int& iter) = 0;
 
    virtual void set_firstiter(bool flag = true) = 0;
    virtual void set_wg(const ModuleBase::matrix* wg) = 0;
    virtual void set_psi(void* psi) = 0;
    virtual void iter_inc() = 0;
 
    virtual void set_op() = 0;
 
    virtual bool exx_after_converge(int& iter, bool ene_conv) = 0;
 
    virtual double cal_exx_energy(void* psi) = 0;
 
    virtual bool get_op_first_iter() const = 0;
    virtual void set_op_first_iter(bool flag) = 0;
 
    virtual void set_op_exx(void* op) = 0;
};
 
#endif // EXX_HELPER_BASE_H