sirius::lr::Linear_response_operator Struct Reference

Public Member Functions
	Linear_response_operator (sirius::Simulation_context &ctx, sirius::Hamiltonian_k< double > &Hk, std::vector< double > const &eigvals, wf::Wave_functions< double > *Hphi, wf::Wave_functions< double > *Sphi, wf::Wave_functions< double > *evq, wf::Wave_functions< double > *tmp, double alpha_pv, wf::band_range br, wf::spin_range sr, sddk::memory_t mem)
void	repack (std::vector< int > const &ids)
void	multiply (double alpha, Wave_functions_wrap x, double beta, Wave_functions_wrap y, int num_active)

Public Attributes
sirius::Simulation_context &	ctx
sirius::Hamiltonian_k< double > &	Hk
std::vector< double >	min_eigenvals
wf::Wave_functions< double > *	Hphi
wf::Wave_functions< double > *	Sphi
wf::Wave_functions< double > *	evq
wf::Wave_functions< double > *	tmp
double	alpha_pv
wf::band_range	br
wf::spin_range	sr
sddk::memory_t	mem
la::dmatrix< std::complex< double > >	overlap

Detailed Description

Definition at line 287 of file multi_cg.hpp.

Constructor & Destructor Documentation

Linear_response_operator()

sirius::lr::Linear_response_operator::Linear_response_operator ( sirius::Simulation_context &  ctx, sirius::Hamiltonian_k< double > &  Hk, std::vector< double > const &  eigvals, wf::Wave_functions< double > *  Hphi, wf::Wave_functions< double > *  Sphi, wf::Wave_functions< double > *  evq, wf::Wave_functions< double > *  tmp, double  alpha_pv, wf::band_range  br, wf::spin_range  sr, sddk::memory_t  mem  )

inline

Definition at line 301 of file multi_cg.hpp.

Member Function Documentation

repack()

void sirius::lr::Linear_response_operator::repack ( std::vector< int > const &  ids )

inline

Definition at line 328 of file multi_cg.hpp.

multiply()

void sirius::lr::Linear_response_operator::multiply ( double  alpha, Wave_functions_wrap  x, double  beta, Wave_functions_wrap  y, int  num_active  )

inline

Definition at line 336 of file multi_cg.hpp.

Member Data Documentation

ctx

sirius::Simulation_context& sirius::lr::Linear_response_operator::ctx

Definition at line 288 of file multi_cg.hpp.

Hk

sirius::Hamiltonian_k<double>& sirius::lr::Linear_response_operator::Hk

Definition at line 289 of file multi_cg.hpp.

min_eigenvals

std::vector<double> sirius::lr::Linear_response_operator::min_eigenvals

Definition at line 290 of file multi_cg.hpp.

Hphi

wf::Wave_functions<double>* sirius::lr::Linear_response_operator::Hphi

Definition at line 291 of file multi_cg.hpp.

Sphi

wf::Wave_functions<double>* sirius::lr::Linear_response_operator::Sphi

Definition at line 292 of file multi_cg.hpp.

evq

wf::Wave_functions<double>* sirius::lr::Linear_response_operator::evq

Definition at line 293 of file multi_cg.hpp.

tmp

wf::Wave_functions<double>* sirius::lr::Linear_response_operator::tmp

Definition at line 294 of file multi_cg.hpp.

alpha_pv

double sirius::lr::Linear_response_operator::alpha_pv

Definition at line 295 of file multi_cg.hpp.

br

wf::band_range sirius::lr::Linear_response_operator::br

Definition at line 296 of file multi_cg.hpp.

sr

wf::spin_range sirius::lr::Linear_response_operator::sr

Definition at line 297 of file multi_cg.hpp.

mem

sddk::memory_t sirius::lr::Linear_response_operator::mem

Definition at line 298 of file multi_cg.hpp.

overlap

la::dmatrix<std::complex<double> > sirius::lr::Linear_response_operator::overlap

Definition at line 299 of file multi_cg.hpp.

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

• multi_cg.hpp