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Atomic-orbital Based Ab-initio Computation at UStc
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Public Member Functions | Static Public Attributes | Private Types | Private Member Functions | Static Private Attributes | List of all members
hsolver::DiagoElpa< T > Class Template Reference

#include <diago_elpa.h>

Collaboration diagram for hsolver::DiagoElpa< T >:

Public Member Functions

void diag (hamilt::Hamilt< T > *phm_in, psi::Psi< T > &psi, Real *eigenvalue_in)
 
void diag_pool (hamilt::MatrixBlock< T > &h_mat, hamilt::MatrixBlock< T > &s_mat, psi::Psi< T > &psi, Real *eigenvalue_in, MPI_Comm &comm)
 
MPI_Comm setmpicomm ()
 
MPI_Comm setmpicomm ()
 
MPI_Comm setmpicomm ()
 
void diag (hamilt::Hamilt< std::complex< double > > *phm_in, psi::Psi< std::complex< double > > &psi, Real *eigenvalue_in)
 
void diag (hamilt::Hamilt< double > *phm_in, psi::Psi< double > &psi, Real *eigenvalue_in)
 
void diag_pool (hamilt::MatrixBlock< std::complex< double > > &h_mat, hamilt::MatrixBlock< std::complex< double > > &s_mat, psi::Psi< std::complex< double > > &psi, Real *eigenvalue_in, MPI_Comm &comm)
 
void diag_pool (hamilt::MatrixBlock< double > &h_mat, hamilt::MatrixBlock< double > &s_mat, psi::Psi< double > &psi, Real *eigenvalue_in, MPI_Comm &comm)
 

Static Public Attributes

static int elpa_num_thread = -1
 
static int DecomposedState = 0
 

Private Types

using Real = typename GetTypeReal< T >::type
 

Private Member Functions

bool ifElpaHandle (const bool &newIteration, const bool &ifNSCF)
 

Static Private Attributes

static int lastmpinum = -1
 

Member Typedef Documentation

◆ Real

template<typename T >
using hsolver::DiagoElpa< T >::Real = typename GetTypeReal<T>::type
private

Member Function Documentation

◆ diag() [1/3]

void hsolver::DiagoElpa< double >::diag ( hamilt::Hamilt< double > *  phm_in,
psi::Psi< double > &  psi,
Real eigenvalue_in 
)
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◆ diag() [2/3]

void hsolver::DiagoElpa< std::complex< double > >::diag ( hamilt::Hamilt< std::complex< double > > *  phm_in,
psi::Psi< std::complex< double > > &  psi,
Real eigenvalue_in 
)
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◆ diag() [3/3]

template<typename T >
void hsolver::DiagoElpa< T >::diag ( hamilt::Hamilt< T > *  phm_in,
psi::Psi< T > &  psi,
Real eigenvalue_in 
)
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◆ diag_pool() [1/3]

void hsolver::DiagoElpa< double >::diag_pool ( hamilt::MatrixBlock< double > &  h_mat,
hamilt::MatrixBlock< double > &  s_mat,
psi::Psi< double > &  psi,
Real eigenvalue_in,
MPI_Comm &  comm 
)
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◆ diag_pool() [2/3]

void hsolver::DiagoElpa< std::complex< double > >::diag_pool ( hamilt::MatrixBlock< std::complex< double > > &  h_mat,
hamilt::MatrixBlock< std::complex< double > > &  s_mat,
psi::Psi< std::complex< double > > &  psi,
Real eigenvalue_in,
MPI_Comm &  comm 
)
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◆ diag_pool() [3/3]

template<typename T >
void hsolver::DiagoElpa< T >::diag_pool ( hamilt::MatrixBlock< T > &  h_mat,
hamilt::MatrixBlock< T > &  s_mat,
psi::Psi< T > &  psi,
Real eigenvalue_in,
MPI_Comm &  comm 
)
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◆ ifElpaHandle()

template<typename T >
bool hsolver::DiagoElpa< T >::ifElpaHandle ( const bool &  newIteration,
const bool &  ifNSCF 
)
private

◆ setmpicomm() [1/3]

MPI_Comm hsolver::DiagoElpa< double >::setmpicomm ( )

◆ setmpicomm() [2/3]

MPI_Comm hsolver::DiagoElpa< std::complex< double > >::setmpicomm ( )

◆ setmpicomm() [3/3]

template<typename T >
MPI_Comm hsolver::DiagoElpa< T >::setmpicomm ( )

Member Data Documentation

◆ DecomposedState

template<typename T >
int hsolver::DiagoElpa< T >::DecomposedState = 0
static

◆ elpa_num_thread

template<typename T >
int hsolver::DiagoElpa< T >::elpa_num_thread = -1
static

◆ lastmpinum

template<typename T >
int hsolver::DiagoElpa< T >::lastmpinum = -1
staticprivate

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