Numerical_Orbital_AtomRelation Class Reference

#include <ORB_atomic.h>

Collaboration diagram for Numerical_Orbital_AtomRelation:

Public Member Functions
double &	get_distance ()
double	getX ()
double	getY ()
double	getZ ()
ModuleBase::Vector3< double > &	getR1 ()
ModuleBase::Vector3< double > &	getR2 ()
ModuleBase::Vector3< double > &	getdR ()
void	set_position (const ModuleBase::Vector3< double > &R1_in, const ModuleBase::Vector3< double > &R2_in)

Public Attributes
double	distance
ModuleBase::Vector3< double >	R1
ModuleBase::Vector3< double >	R2
ModuleBase::Vector3< double >	dR

Member Function Documentation

get_distance()

double & Numerical_Orbital_AtomRelation::get_distance ( )

inline

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getdR()

ModuleBase::Vector3< double > & Numerical_Orbital_AtomRelation::getdR ( )

inline

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getR1()

ModuleBase::Vector3< double > & Numerical_Orbital_AtomRelation::getR1 ( )

inline

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getR2()

ModuleBase::Vector3< double > & Numerical_Orbital_AtomRelation::getR2 ( )

inline

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getX()

double Numerical_Orbital_AtomRelation::getX ( )

inline

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getY()

double Numerical_Orbital_AtomRelation::getY ( )

inline

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getZ()

double Numerical_Orbital_AtomRelation::getZ ( )

inline

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set_position()

void Numerical_Orbital_AtomRelation::set_position ( const ModuleBase::Vector3< double > &  R1_in, const ModuleBase::Vector3< double > &  R2_in  )

inline

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Member Data Documentation

distance

double Numerical_Orbital_AtomRelation::distance

dR

ModuleBase::Vector3<double> Numerical_Orbital_AtomRelation::dR

R1

ModuleBase::Vector3<double> Numerical_Orbital_AtomRelation::R1

R2

ModuleBase::Vector3<double> Numerical_Orbital_AtomRelation::R2

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

• /home/runner/work/abacus-develop/abacus-develop/source/source_basis/module_ao/ORB_atomic.h