dftu_lcao.h

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#ifndef DFTU_LCAO_H
#define DFTU_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_dftu_lcao(const int istep,
                     const int iter,
                     const Input_para& inp,
                     void* dftu,
                     void* dm,
                     const UnitCell& ucell,
                     double** rho,
                     const int nrxx);
 
template <typename TK>
void finish_dftu_lcao(const int iter,
                       const bool conv_esolver,
                       const Input_para& inp,
                       void* dftu,
                       const UnitCell& ucell,
                       const std::vector<std::vector<TK>>& dm_vec,
                       const K_Vectors& kv,
                       const double mixing_beta,
                       void* hamilt_lcao);
 
} // namespace ModuleESolver
 
#endif // DFTU_LCAO_H