H_Ewald_pw Class Reference

#include <H_Ewald_pw.h>

Collaboration diagram for H_Ewald_pw:

Public Member Functions
	H_Ewald_pw ()
	~H_Ewald_pw ()

Static Public Member Functions
static double	compute_ewald (const UnitCell &cell, const ModulePW::PW_Basis *rho_basis, const ModuleBase::ComplexMatrix &strucFac)
static int	estimate_mxr (const double &rmax, const ModuleBase::Matrix3 &bg)
static void	rgen (const ModuleBase::Vector3< double > &dtau, const double &rmax, int *irr, const ModuleBase::Matrix3 &at, const ModuleBase::Matrix3 &bg, ModuleBase::Vector3< double > *r, double *r2, const int mxr, int &nrm)

Static Public Attributes
static double	alpha =0.0
static int	mxr = 200

Constructor & Destructor Documentation

H_Ewald_pw()

H_Ewald_pw::H_Ewald_pw

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~H_Ewald_pw()

H_Ewald_pw::~H_Ewald_pw

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Member Function Documentation

compute_ewald()

double H_Ewald_pw::compute_ewald ( const UnitCell &  cell, const ModulePW::PW_Basis *  rho_basis, const ModuleBase::ComplexMatrix &  strucFac  )

static

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estimate_mxr()

int H_Ewald_pw::estimate_mxr ( const double &  rmax, const ModuleBase::Matrix3 &  bg  )

static

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rgen()

void H_Ewald_pw::rgen ( const ModuleBase::Vector3< double > &  dtau, const double &  rmax, int *  irr, const ModuleBase::Matrix3 &  at, const ModuleBase::Matrix3 &  bg, ModuleBase::Vector3< double > *  r, double *  r2, const int  mxr, int &  nrm  )

static

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Member Data Documentation

alpha

double H_Ewald_pw::alpha =0.0

static

mxr

int H_Ewald_pw::mxr = 200

static

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

• /home/runner/work/abacus-develop/abacus-develop/source/source_hamilt/module_ewald/H_Ewald_pw.h
• /home/runner/work/abacus-develop/abacus-develop/source/source_hamilt/module_ewald/H_Ewald_pw.cpp