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Atomic-orbital Based Ab-initio Computation at UStc
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Public Member Functions | Public Attributes | List of all members
LCAO_HS_Arrays Class Reference

#include <LCAO_HS_arrays.hpp>

Collaboration diagram for LCAO_HS_Arrays:

Public Member Functions

 LCAO_HS_Arrays ()
 
 ~LCAO_HS_Arrays ()
 

Public Attributes

std::vector< double > Hloc_fixedR
 
std::map< Abfs::Vector3_Order< int >, std::map< size_t, std::map< size_t, double > > > HR_sparse [2]
 
std::map< Abfs::Vector3_Order< int >, std::map< size_t, std::map< size_t, double > > > SR_sparse
 
std::map< Abfs::Vector3_Order< int >, std::map< size_t, std::map< size_t, double > > > TR_sparse
 
std::map< Abfs::Vector3_Order< int >, std::map< size_t, std::map< size_t, double > > > dHRx_sparse [2]
 
std::map< Abfs::Vector3_Order< int >, std::map< size_t, std::map< size_t, double > > > dHRy_sparse [2]
 
std::map< Abfs::Vector3_Order< int >, std::map< size_t, std::map< size_t, double > > > dHRz_sparse [2]
 
std::map< Abfs::Vector3_Order< int >, std::map< size_t, std::map< size_t, std::complex< double > > > > HR_soc_sparse
 
std::map< Abfs::Vector3_Order< int >, std::map< size_t, std::map< size_t, std::complex< double > > > > SR_soc_sparse
 
std::map< Abfs::Vector3_Order< int >, std::map< size_t, std::map< size_t, std::complex< double > > > > dHRx_soc_sparse
 
std::map< Abfs::Vector3_Order< int >, std::map< size_t, std::map< size_t, std::complex< double > > > > dHRy_soc_sparse
 
std::map< Abfs::Vector3_Order< int >, std::map< size_t, std::map< size_t, std::complex< double > > > > dHRz_soc_sparse
 
std::set< Abfs::Vector3_Order< int > > output_R_coor
 
std::set< Abfs::Vector3_Order< int > > all_R_coor
 

Constructor & Destructor Documentation

◆ LCAO_HS_Arrays()

LCAO_HS_Arrays::LCAO_HS_Arrays ( )
inline

◆ ~LCAO_HS_Arrays()

LCAO_HS_Arrays::~LCAO_HS_Arrays ( )
inline

Member Data Documentation

◆ all_R_coor

std::set<Abfs::Vector3_Order<int> > LCAO_HS_Arrays::all_R_coor

◆ dHRx_soc_sparse

std::map<Abfs::Vector3_Order<int>, std::map<size_t, std::map<size_t, std::complex<double> > > > LCAO_HS_Arrays::dHRx_soc_sparse

◆ dHRx_sparse

std::map<Abfs::Vector3_Order<int>, std::map<size_t, std::map<size_t, double> > > LCAO_HS_Arrays::dHRx_sparse[2]

◆ dHRy_soc_sparse

std::map<Abfs::Vector3_Order<int>, std::map<size_t, std::map<size_t, std::complex<double> > > > LCAO_HS_Arrays::dHRy_soc_sparse

◆ dHRy_sparse

std::map<Abfs::Vector3_Order<int>, std::map<size_t, std::map<size_t, double> > > LCAO_HS_Arrays::dHRy_sparse[2]

◆ dHRz_soc_sparse

std::map<Abfs::Vector3_Order<int>, std::map<size_t, std::map<size_t, std::complex<double> > > > LCAO_HS_Arrays::dHRz_soc_sparse

◆ dHRz_sparse

std::map<Abfs::Vector3_Order<int>, std::map<size_t, std::map<size_t, double> > > LCAO_HS_Arrays::dHRz_sparse[2]

◆ Hloc_fixedR

std::vector<double> LCAO_HS_Arrays::Hloc_fixedR

◆ HR_soc_sparse

std::map<Abfs::Vector3_Order<int>, std::map<size_t, std::map<size_t, std::complex<double> > > > LCAO_HS_Arrays::HR_soc_sparse

◆ HR_sparse

std::map<Abfs::Vector3_Order<int>, std::map<size_t, std::map<size_t, double> > > LCAO_HS_Arrays::HR_sparse[2]

◆ output_R_coor

std::set<Abfs::Vector3_Order<int> > LCAO_HS_Arrays::output_R_coor

◆ SR_soc_sparse

std::map<Abfs::Vector3_Order<int>, std::map<size_t, std::map<size_t, std::complex<double> > > > LCAO_HS_Arrays::SR_soc_sparse

◆ SR_sparse

std::map<Abfs::Vector3_Order<int>, std::map<size_t, std::map<size_t, double> > > LCAO_HS_Arrays::SR_sparse

◆ TR_sparse

std::map<Abfs::Vector3_Order<int>, std::map<size_t, std::map<size_t, double> > > LCAO_HS_Arrays::TR_sparse

The documentation for this class was generated from the following file: