elecstate::PotSurChem Class Reference

#include <pot_surchem.hpp>

Inheritance diagram for elecstate::PotSurChem:

Collaboration diagram for elecstate::PotSurChem:

Public Member Functions
	PotSurChem (const ModulePW::PW_Basis *rho_basis_in, Structure_Factor *structure_factors_in, const double *vlocal_in, surchem *surchem_in)
	~PotSurChem ()
void	cal_v_eff (const Charge *const chg, const UnitCell *const ucell, ModuleBase::matrix &v_eff) override
Public Member Functions inherited from elecstate::PotBase
	PotBase ()
virtual	~PotBase ()
virtual void	cal_fixed_v (double *vl_pseudo)

Private Attributes
surchem *	surchem_ = nullptr
Structure_Factor *	structure_factors_ = nullptr
const double *	vlocal = nullptr
bool	allocated = false

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_Basis *	rho_basis_ = nullptr
const ModulePW::PW_Basis *	rho_basis_smooth_ = nullptr

Constructor & Destructor Documentation

PotSurChem()

elecstate::PotSurChem::PotSurChem ( const ModulePW::PW_Basis *  rho_basis_in, Structure_Factor *  structure_factors_in, const double *  vlocal_in, surchem *  surchem_in  )

inline

~PotSurChem()

elecstate::PotSurChem::~PotSurChem ( )

inline

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Member Function Documentation

cal_v_eff()

void elecstate::PotSurChem::cal_v_eff ( const Charge *const  chg, const UnitCell *const  ucell, ModuleBase::matrix &  v_eff  )

inlineoverridevirtual

Reimplemented from elecstate::PotBase.

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Member Data Documentation

allocated

bool elecstate::PotSurChem::allocated = false

private

structure_factors_

Structure_Factor* elecstate::PotSurChem::structure_factors_ = nullptr

private

surchem_

surchem* elecstate::PotSurChem::surchem_ = nullptr

private

vlocal

const double* elecstate::PotSurChem::vlocal = nullptr

private

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

• /home/runner/work/abacus-develop/abacus-develop/source/source_estate/module_pot/pot_surchem.hpp