esolver_double_xc.h

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#ifndef ESOLVER_DOUBLE_XC_H
#define ESOLVER_DOUBLE_XC_H
 
#include "source_esolver/esolver_ks_lcao.h"
 
namespace ModuleESolver
{
// used in deepks, run target and base xc functional simultaneously
template <typename TK, typename TR>
class ESolver_DoubleXC : public ESolver_KS_LCAO<TK, TR>
{
  public:
    ESolver_DoubleXC();
    ~ESolver_DoubleXC();
 
    void before_all_runners(UnitCell& ucell, const Input_para& inp) override;
 
    void cal_force(UnitCell& ucell, ModuleBase::matrix& force) override;
 
  protected:
 
    void before_scf(UnitCell& ucell, const int istep) override;
 
    void iter_finish(UnitCell& ucell, const int istep, int& iter, bool& conv_esolver) override;
 
    hamilt::Hamilt<TK>* p_hamilt_base = nullptr;
 
    psi::Psi<TK>* psi_base = nullptr;
 
    elecstate::ElecState* pelec_base = nullptr;
 
    LCAO_domain::Setup_DM<TK> dmat_base;
 
    Charge chr_base;
};
} // namespace ModuleESolver
#endif