hsolver::DiagoPexsi< T > Class Template Reference

#include <diago_pexsi.h>

Collaboration diagram for hsolver::DiagoPexsi< T >:

Public Member Functions
	DiagoPexsi (const Parallel_Orbitals *ParaV_in)
void	diag (hamilt::Hamilt< T > *phm_in, psi::Psi< T > &psi, Real *eigenvalue_in)
	~DiagoPexsi ()

Public Attributes
const Parallel_Orbitals *	ParaV
std::vector< T * >	DM
std::vector< T * >	EDM
double	totalEnergyH
double	totalEnergyS
double	totalFreeEnergy
std::unique_ptr< pexsi::PEXSI_Solver >	ps

Private Types
using	Real = typename GetTypeReal< T >::type

Static Private Attributes
static std::vector< double >	mu_buffer

Member Typedef Documentation

Real

template<typename T >

using hsolver::DiagoPexsi< T >::Real = typename GetTypeReal<T>::type

private

Constructor & Destructor Documentation

DiagoPexsi()

template<typename T >

hsolver::DiagoPexsi< T >::DiagoPexsi

(

const Parallel_Orbitals *

ParaV_in

)

~DiagoPexsi()

template<typename T >

hsolver::DiagoPexsi< T >::~DiagoPexsi

(

)

Member Function Documentation

diag()

template<typename T >

void hsolver::DiagoPexsi< T >::diag	(	hamilt::Hamilt< T > *	phm_in,
		psi::Psi< T > &	psi,
		Real *	eigenvalue_in
	)

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Member Data Documentation

DM

template<typename T >

std::vector<T*> hsolver::DiagoPexsi< T >::DM

EDM

template<typename T >

std::vector<T*> hsolver::DiagoPexsi< T >::EDM

mu_buffer

template<typename T >

std::vector<double> hsolver::DiagoPexsi< T >::mu_buffer

staticprivate

ParaV

template<typename T >

const Parallel_Orbitals* hsolver::DiagoPexsi< T >::ParaV

ps

template<typename T >

std::unique_ptr<pexsi::PEXSI_Solver> hsolver::DiagoPexsi< T >::ps

totalEnergyH

template<typename T >

double hsolver::DiagoPexsi< T >::totalEnergyH

totalEnergyS

template<typename T >

double hsolver::DiagoPexsi< T >::totalEnergyS

totalFreeEnergy

template<typename T >

double hsolver::DiagoPexsi< T >::totalFreeEnergy

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

• /home/runner/work/abacus-develop/abacus-develop/source/source_hsolver/diago_pexsi.h