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

#include <pot_local.h>

Inheritance diagram for elecstate::PotLocal:
Collaboration diagram for elecstate::PotLocal:

Public Member Functions

 PotLocal (const ModuleBase::matrix *vloc_in, const ModuleBase::ComplexMatrix *sf_in, const ModulePW::PW_Basis *rho_basis_in, double &vl_of_0)
 
void cal_fixed_v (double *vl_pseudo) override
 
- Public Member Functions inherited from elecstate::PotBase
 PotBase ()
 
virtual ~PotBase ()
 
virtual void cal_v_eff (const Charge *const chg, const UnitCell *const ucell, ModuleBase::matrix &v_eff)
 

Private Attributes

double * vl_of_0_ = nullptr
 save the value of vloc at G=0; this is a static member because there is only one vl(0) for all instances
 
const ModuleBase::matrixvloc_ = nullptr
 
const ModuleBase::ComplexMatrixsf_ = nullptr
 
int ntype_ = 0
 

Additional Inherited Members

- Public Attributes inherited from elecstate::PotBase
bool fixed_mode = 0
 
bool dynamic_mode = 0
 
- Protected Attributes inherited from elecstate::PotBase
const ModulePW::PW_Basisrho_basis_ = nullptr
 
const ModulePW::PW_Basisrho_basis_smooth_ = nullptr
 

Constructor & Destructor Documentation

◆ PotLocal()

elecstate::PotLocal::PotLocal ( const ModuleBase::matrix vloc_in,
const ModuleBase::ComplexMatrix sf_in,
const ModulePW::PW_Basis rho_basis_in,
double &  vl_of_0 
)
inline

Member Function Documentation

◆ cal_fixed_v()

void elecstate::PotLocal::cal_fixed_v ( double *  vl_pseudo)
overridevirtual

save the V_local at G=0

Reimplemented from elecstate::PotBase.

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Member Data Documentation

◆ ntype_

int elecstate::PotLocal::ntype_ = 0
private

◆ sf_

const ModuleBase::ComplexMatrix* elecstate::PotLocal::sf_ = nullptr
private

◆ vl_of_0_

double* elecstate::PotLocal::vl_of_0_ = nullptr
private

save the value of vloc at G=0; this is a static member because there is only one vl(0) for all instances

◆ vloc_

const ModuleBase::matrix* elecstate::PotLocal::vloc_ = nullptr
private

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