elecstate::PotBase Class Reference

#include <pot_base.h>

Inheritance diagram for elecstate::PotBase:

Collaboration diagram for elecstate::PotBase:

Public Member Functions
	PotBase ()
virtual	~PotBase ()
virtual void	cal_v_eff (const Charge *const chg, const UnitCell *const ucell, ModuleBase::matrix &v_eff)
virtual void	cal_fixed_v (double *vl_pseudo)

Public Attributes
bool	fixed_mode = 0
bool	dynamic_mode = 0

Protected Attributes
const ModulePW::PW_Basis *	rho_basis_ = nullptr
const ModulePW::PW_Basis *	rho_basis_smooth_ = nullptr

Detailed Description

This class is the base class of Potential module

1. Main class Potential is derived from it.
2. components of potentials on real space grids can derived from it and will be registered into Potential. a. cal_fixed_v() is a virtual function, it can be override to contribute potentials which do not change with Charge object. b. cal_v_eff() is a virtual function, it can be override to contribute potentials which change with Charge object. c. fixed_mode should be set "true" if you want Potential class call cal_fixed_v() d. dynamic_mode should be set "true" if you want Potential class call cal_v_eff() e. rho_basis_ is needed to provide number of real space grids(nrxx) and number of spin(nspin) and FFT(real<->recip) interface

Constructor & Destructor Documentation

PotBase()

elecstate::PotBase::PotBase ( )

inline

~PotBase()

virtual elecstate::PotBase::~PotBase ( )

inlinevirtual

Member Function Documentation

cal_fixed_v()

virtual void elecstate::PotBase::cal_fixed_v ( double *  vl_pseudo )

inlinevirtual

Reimplemented in elecstate::PotEfield, elecstate::PotGate, elecstate::H_TDDFT_pw, elecstate::PotLocal, elecstate::PotLocal_PAW, and elecstate::Potential.

cal_v_eff()

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

inlinevirtual

Reimplemented in elecstate::PotEfield, elecstate::PotHartree, elecstate::PotSurChem, elecstate::PotXC, and elecstate::Potential.

Member Data Documentation

dynamic_mode

bool elecstate::PotBase::dynamic_mode = 0

fixed_mode

bool elecstate::PotBase::fixed_mode = 0

rho_basis_

const ModulePW::PW_Basis* elecstate::PotBase::rho_basis_ = nullptr

protected

rho_basis_smooth_

const ModulePW::PW_Basis* elecstate::PotBase::rho_basis_smooth_ = nullptr

protected

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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_base.h