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

#include <gint_fvl_meta.h>

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Public Member Functions

 Gint_fvl_meta (const int nspin, const std::vector< const double * > &vr_eff, const std::vector< const double * > &vofk, const std::vector< HContainer< double > * > &dm_vec, const bool isforce, const bool isstress, ModuleBase::matrix *fvl, ModuleBase::matrix *svl)
 
void cal_gint ()
 
- Public Member Functions inherited from ModuleGint::Gint
 Gint ()=default
 
virtual ~Gint ()=default
 

Private Member Functions

void init_dm_gint_ ()
 
void cal_fvl_svl_ ()
 

Private Attributes

const int nspin_
 
std::vector< const double * > vr_eff_
 
std::vector< const double * > vofk_
 
std::vector< HContainer< double > * > dm_vec_
 
const bool isforce_
 
const bool isstress_
 
ModuleBase::matrixfvl_
 
ModuleBase::matrixsvl_
 
std::vector< HContainer< double > > dm_gint_vec_
 
double dr3_
 

Additional Inherited Members

- Static Public Member Functions inherited from ModuleGint::Gint
static void set_gint_info (GintInfo *gint_info)
 
- Static Protected Attributes inherited from ModuleGint::Gint
static GintInfogint_info_ = nullptr
 

Constructor & Destructor Documentation

◆ Gint_fvl_meta()

ModuleGint::Gint_fvl_meta::Gint_fvl_meta ( const int  nspin,
const std::vector< const double * > &  vr_eff,
const std::vector< const double * > &  vofk,
const std::vector< HContainer< double > * > &  dm_vec,
const bool  isforce,
const bool  isstress,
ModuleBase::matrix fvl,
ModuleBase::matrix svl 
)
inline

Member Function Documentation

◆ cal_fvl_svl_()

void ModuleGint::Gint_fvl_meta::cal_fvl_svl_ ( )
private
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◆ cal_gint()

void ModuleGint::Gint_fvl_meta::cal_gint ( )
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◆ init_dm_gint_()

void ModuleGint::Gint_fvl_meta::init_dm_gint_ ( )
private
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Member Data Documentation

◆ dm_gint_vec_

std::vector<HContainer<double> > ModuleGint::Gint_fvl_meta::dm_gint_vec_
private

◆ dm_vec_

std::vector<HContainer<double>*> ModuleGint::Gint_fvl_meta::dm_vec_
private

◆ dr3_

double ModuleGint::Gint_fvl_meta::dr3_
private

◆ fvl_

ModuleBase::matrix* ModuleGint::Gint_fvl_meta::fvl_
private

◆ isforce_

const bool ModuleGint::Gint_fvl_meta::isforce_
private

◆ isstress_

const bool ModuleGint::Gint_fvl_meta::isstress_
private

◆ nspin_

const int ModuleGint::Gint_fvl_meta::nspin_
private

◆ svl_

ModuleBase::matrix* ModuleGint::Gint_fvl_meta::svl_
private

◆ vofk_

std::vector<const double*> ModuleGint::Gint_fvl_meta::vofk_
private

◆ vr_eff_

std::vector<const double*> ModuleGint::Gint_fvl_meta::vr_eff_
private

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