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

#include <gatefield.h>

Collaboration diagram for elecstate::Gatefield:

Public Member Functions

 Gatefield ()
 
 ~Gatefield ()
 

Static Public Member Functions

static void add_gatefield (double *vltot, const UnitCell &cell, const ModulePW::PW_Basis *rho_basis, const bool &linear, const bool &quadratic)
 
static double mopopla (double &zgate, double z, bool flag)
 
static void compute_force (const UnitCell &cell, ModuleBase::matrix &fgate)
 

Static Public Attributes

static double etotgatefield = 0.0
 
static double rho_surface
 
static double zgate = 0.5
 
static bool relax = false
 
static bool block = false
 
static double block_down = 0.45
 
static double block_up = 0.55
 
static double block_height = 0.1
 

Constructor & Destructor Documentation

◆ Gatefield()

elecstate::Gatefield::Gatefield ( )

◆ ~Gatefield()

elecstate::Gatefield::~Gatefield ( )

Member Function Documentation

◆ add_gatefield()

void elecstate::Gatefield::add_gatefield ( double *  vltot,
const UnitCell cell,
const ModulePW::PW_Basis rho_basis,
const bool &  linear,
const bool &  quadratic 
)
static
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◆ compute_force()

void elecstate::Gatefield::compute_force ( const UnitCell cell,
ModuleBase::matrix fgate 
)
static
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◆ mopopla()

double elecstate::Gatefield::mopopla ( double &  zgate,
double  z,
bool  flag 
)
static
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Member Data Documentation

◆ block

bool elecstate::Gatefield::block = false
static

◆ block_down

double elecstate::Gatefield::block_down = 0.45
static

◆ block_height

double elecstate::Gatefield::block_height = 0.1
static

◆ block_up

double elecstate::Gatefield::block_up = 0.55
static

◆ etotgatefield

double elecstate::Gatefield::etotgatefield = 0.0
static

◆ relax

bool elecstate::Gatefield::relax = false
static

◆ rho_surface

double elecstate::Gatefield::rho_surface
static

◆ zgate

double elecstate::Gatefield::zgate = 0.5
static

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