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

#include <magnetism.h>

Collaboration diagram for Magnetism:

Public Member Functions

 Magnetism ()
 
 ~Magnetism ()
 
void compute_mag (const double &omega, const int &nrxx, const int &nxyz, const double *const *rho, double *nelec_spin=nullptr)
 

Public Attributes

double * start_mag =nullptr
 
double tot_mag
 
double tot_mag_nc [3] ={0.0}
 
double abs_mag
 
ModuleBase::Vector3< double > * m_loc_ =nullptr
 
double * angle1_ =nullptr
 
double * angle2_ =nullptr
 
double ux_ [3] ={0.0}
 
bool lsign_ =false
 

Private Member Functions

bool judge_parallel (const double a[3], const ModuleBase::Vector3< double > &b)
 

Constructor & Destructor Documentation

◆ Magnetism()

Magnetism::Magnetism ( )

◆ ~Magnetism()

Magnetism::~Magnetism ( )

Member Function Documentation

◆ compute_mag()

void Magnetism::compute_mag ( const double &  omega,
const int &  nrxx,
const int &  nxyz,
const double *const *  rho,
double *  nelec_spin = nullptr 
)
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◆ judge_parallel()

bool Magnetism::judge_parallel ( const double  a[3],
const ModuleBase::Vector3< double > &  b 
)
private

Member Data Documentation

◆ abs_mag

double Magnetism::abs_mag

◆ angle1_

double* Magnetism::angle1_ =nullptr

◆ angle2_

double* Magnetism::angle2_ =nullptr

◆ lsign_

bool Magnetism::lsign_ =false

◆ m_loc_

ModuleBase::Vector3<double>* Magnetism::m_loc_ =nullptr

◆ start_mag

double* Magnetism::start_mag =nullptr

◆ tot_mag

double Magnetism::tot_mag

◆ tot_mag_nc

double Magnetism::tot_mag_nc[3] ={0.0}

◆ ux_

double Magnetism::ux_[3] ={0.0}

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