hsolver::HSolverLIP< T > Class Template Reference

#include <hsolver_lcaopw.h>

Collaboration diagram for hsolver::HSolverLIP< T >:

Public Member Functions
	HSolverLIP (ModulePW::PW_Basis_K *wfc_basis_in)
void	solve (hamilt::Hamilt< T > *pHamilt, psi::Psi< T > &psi, elecstate::ElecState *pes, psi::Psi< T > &transform, const bool skip_charge, const double tpiba, const int nat)
	solve function for lcao_in_pw

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

Private Attributes
ModulePW::PW_Basis_K *	wfc_basis

Member Typedef Documentation

Real

template<typename T >

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

private

Constructor & Destructor Documentation

HSolverLIP()

template<typename T >

hsolver::HSolverLIP< T >::HSolverLIP ( ModulePW::PW_Basis_K *  wfc_basis_in )

inline

Member Function Documentation

solve()

template<typename T >

void hsolver::HSolverLIP< T >::solve	(	hamilt::Hamilt< T > *	pHamilt,
		psi::Psi< T > &	psi,
		elecstate::ElecState *	pes,
		psi::Psi< T > &	transform,
		const bool	skip_charge,
		const double	tpiba,
		const int	nat
	)

solve function for lcao_in_pw

Parameters

pHamilt	interface to hamilt
psi	reference to psi
pes	interface to elecstate
transform	transformation matrix between lcao and pw
skip_charge

update H(k) for each k point

solve eigenvector and eigenvalue for H(k)

calculate the contribution of Psi for charge density rho

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Member Data Documentation

wfc_basis

template<typename T >

ModulePW::PW_Basis_K* hsolver::HSolverLIP< T >::wfc_basis

private

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

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