elecstate::PotML_EXX Class Reference

#include <pot_ml_exx.h>

Inheritance diagram for elecstate::PotML_EXX:

Collaboration diagram for elecstate::PotML_EXX:

Public Member Functions
	PotML_EXX (const ModulePW::PW_Basis *rho_basis_in, const UnitCell *ucell_in)
	~PotML_EXX ()
void	cal_v_eff (const Charge *const chg, const UnitCell *const ucell, ModuleBase::matrix &v_eff) override
double	get_energy () const override
Public Member Functions inherited from elecstate::PotBase
	PotBase ()
virtual	~PotBase ()
virtual void	cal_fixed_v (double *vl_pseudo)

Private Attributes
ML_EXX	ml_exx

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

PotML_EXX()

elecstate::PotML_EXX::PotML_EXX ( const ModulePW::PW_Basis *  rho_basis_in, const UnitCell *  ucell_in  )

inline

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~PotML_EXX()

elecstate::PotML_EXX::~PotML_EXX ( )

inline

Member Function Documentation

cal_v_eff()

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

inlineoverridevirtual

Reimplemented from elecstate::PotBase.

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get_energy()

double elecstate::PotML_EXX::get_energy ( ) const

inlineoverridevirtual

Reimplemented from elecstate::PotBase.

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Member Data Documentation

ml_exx

ML_EXX elecstate::PotML_EXX::ml_exx

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_ml_exx.h