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Atomic-orbital Based Ab-initio Computation at UStc
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Functions
RI_Util Namespace Reference

Functions

std::array< int, 3 > get_Born_vonKarmen_period (const K_Vectors &kv)
 
template<typename Tcell , size_t Ndim>
std::vector< std::array< Tcell, Ndim > > get_Born_von_Karmen_cells (const std::array< Tcell, Ndim > &Born_von_Karman_period)
 
template<typename Tcell >
std::array< Tcell, 3 > Vector3_to_array3 (const ModuleBase::Vector3< Tcell > &v)
 
template<typename Tcell >
ModuleBase::Vector3< Tcell > array3_to_Vector3 (const std::array< Tcell, 3 > &v)
 
template<typename Tdata , typename Tmatrix >
RI::Tensor< Tdata > Matrix_to_Tensor (const Tmatrix &m_old)
 
template<typename Tdata >
RI::Tensor< Tdata > Vector_to_Tensor (const std::vector< Tdata > &m_old, const int nr, const int nc)
 
std::map< Conv_Coulomb_Pot_K::Coulomb_Type, std::vector< std::map< std::string, std::string > > > update_coulomb_param (const std::map< Conv_Coulomb_Pot_K::Coulomb_Type, std::vector< std::map< std::string, std::string > > > &coulomb_param, const UnitCell &ucell, const K_Vectors *p_kv)
 
std::map< Conv_Coulomb_Pot_K::Coulomb_Method, std::pair< bool, std::map< Conv_Coulomb_Pot_K::Coulomb_Type, std::vector< std::map< std::string, std::string > > > > > update_coulomb_settings (const std::map< Conv_Coulomb_Pot_K::Coulomb_Type, std::vector< std::map< std::string, std::string > > > &coulomb_param, const UnitCell &ucell, const K_Vectors *p_kv)
 
template<typename Tcell >
std::vector< std::array< Tcell, 1 > > get_Born_von_Karmen_cells (const std::array< Tcell, 1 > &Born_von_Karman_period)
 

Function Documentation

◆ array3_to_Vector3()

template<typename Tcell >
ModuleBase::Vector3< Tcell > RI_Util::array3_to_Vector3 ( const std::array< Tcell, 3 > &  v)
inline
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◆ get_Born_von_Karmen_cells() [1/2]

template<typename Tcell >
std::vector< std::array< Tcell, 1 > > RI_Util::get_Born_von_Karmen_cells ( const std::array< Tcell, 1 > &  Born_von_Karman_period)

◆ get_Born_von_Karmen_cells() [2/2]

template<typename Tcell , size_t Ndim>
std::vector< std::array< Tcell, Ndim > > RI_Util::get_Born_von_Karmen_cells ( const std::array< Tcell, Ndim > &  Born_von_Karman_period)
extern
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◆ get_Born_vonKarmen_period()

std::array< int, 3 > RI_Util::get_Born_vonKarmen_period ( const K_Vectors kv)
externinline
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◆ Matrix_to_Tensor()

template<typename Tdata , typename Tmatrix >
RI::Tensor< Tdata > RI_Util::Matrix_to_Tensor ( const Tmatrix &  m_old)

◆ update_coulomb_param()

std::map< Conv_Coulomb_Pot_K::Coulomb_Type, std::vector< std::map< std::string, std::string > > > RI_Util::update_coulomb_param ( const std::map< Conv_Coulomb_Pot_K::Coulomb_Type, std::vector< std::map< std::string, std::string > > > &  coulomb_param,
const UnitCell ucell,
const K_Vectors p_kv 
)
inline
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◆ update_coulomb_settings()

std::map< Conv_Coulomb_Pot_K::Coulomb_Method, std::pair< bool, std::map< Conv_Coulomb_Pot_K::Coulomb_Type, std::vector< std::map< std::string, std::string > > > > > RI_Util::update_coulomb_settings ( const std::map< Conv_Coulomb_Pot_K::Coulomb_Type, std::vector< std::map< std::string, std::string > > > &  coulomb_param,
const UnitCell ucell,
const K_Vectors p_kv 
)
inline
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◆ Vector3_to_array3()

template<typename Tcell >
std::array< Tcell, 3 > RI_Util::Vector3_to_array3 ( const ModuleBase::Vector3< Tcell > &  v)
inline
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◆ Vector_to_Tensor()

template<typename Tdata >
RI::Tensor< Tdata > RI_Util::Vector_to_Tensor ( const std::vector< Tdata > &  m_old,
const int  nr,
const int  nc 
)