dftu_lcao.cpp File Reference

#include "dftu_lcao.h"
#include "source_lcao/module_dftu/dftu.h"
#include "source_estate/module_dm/density_matrix.h"
#include "source_lcao/hamilt_lcao.h"

Include dependency graph for dftu_lcao.cpp:

Namespaces
namespace	ModuleESolver
	The First-Principles (FP) Energy Solver Class.

Functions
template<typename TK >
void	ModuleESolver::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)
	Initialize DFT+U for LCAO method in iter_init.
template<typename TK >
void	ModuleESolver::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)
	Finish DFT+U calculation for LCAO method in iter_finish.
template void	ModuleESolver::init_dftu_lcao< double > (const int istep, const int iter, const Input_para &inp, void *dftu, void *dm, const UnitCell &ucell, double **rho, const int nrxx)
	Template instantiation.
template void	ModuleESolver::init_dftu_lcao< std::complex< double > > (const int istep, const int iter, const Input_para &inp, void *dftu, void *dm, const UnitCell &ucell, double **rho, const int nrxx)
template void	ModuleESolver::finish_dftu_lcao< double > (const int iter, const bool conv_esolver, const Input_para &inp, void *dftu, const UnitCell &ucell, const std::vector< std::vector< double > > &dm_vec, const K_Vectors &kv, const double mixing_beta, void *hamilt_lcao)
template void	ModuleESolver::finish_dftu_lcao< std::complex< double > > (const int iter, const bool conv_esolver, const Input_para &inp, void *dftu, const UnitCell &ucell, const std::vector< std::vector< std::complex< double > > > &dm_vec, const K_Vectors &kv, const double mixing_beta, void *hamilt_lcao)