deltaspin_lcao.h

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#ifndef DELTASPIN_LCAO_H
#define DELTASPIN_LCAO_H
 
#include "source_cell/unitcell.h"
#include "source_cell/klist.h"
#include "source_io/module_parameter/input_parameter.h"
 
namespace ModuleESolver
{
 
template <typename TK>
void init_deltaspin_lcao(const UnitCell& ucell,
                          const Input_para& inp,
                          void* pv,
                          const K_Vectors& kv,
                          void* p_hamilt,
                          void* psi,
                          void* dm,
                          void* pelec);
 
template <typename TK>
void cal_mi_lcao_wrapper(const int iter, const Input_para& inp);
 
template <typename TK>
bool run_deltaspin_lambda_loop_lcao(const int iter,
                                     const double drho,
                                     const Input_para& inp);
 
} // namespace ModuleESolver
 
#endif // DELTASPIN_LCAO_H