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

#include <pot_xc_fdm.h>

Inheritance diagram for elecstate::PotXC_FDM:
Collaboration diagram for elecstate::PotXC_FDM:

Public Member Functions

 PotXC_FDM (const ModulePW::PW_Basis *rho_basis_in, const Charge *const chg_0_in, const UnitCell *const ucell)
 
void cal_v_eff (const Charge *const chg_1, 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)
 
virtual double get_energy () const
 

Public Attributes

const Charge *const chg_0 = nullptr
 
ModuleBase::matrix v_xc_0
 
- Public Attributes inherited from elecstate::PotBase
bool fixed_mode = 0
 
bool dynamic_mode = 0
 

Additional Inherited Members

- Protected Attributes inherited from elecstate::PotBase
const ModulePW::PW_Basisrho_basis_ = nullptr
 
const ModulePW::PW_Basisrho_basis_smooth_ = nullptr
 

Constructor & Destructor Documentation

◆ PotXC_FDM()

elecstate::PotXC_FDM::PotXC_FDM ( const ModulePW::PW_Basis rho_basis_in,
const Charge *const  chg_0_in,
const UnitCell *const  ucell 
)
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Member Function Documentation

◆ cal_v_eff()

void elecstate::PotXC_FDM::cal_v_eff ( const Charge *const  chg_1,
const UnitCell *const  ucell,
ModuleBase::matrix v_eff 
)
overridevirtual

Reimplemented from elecstate::PotBase.

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Member Data Documentation

◆ chg_0

const Charge* const elecstate::PotXC_FDM::chg_0 = nullptr

◆ v_xc_0

ModuleBase::matrix elecstate::PotXC_FDM::v_xc_0

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