AtomicBasisFunction Class Reference

#include <atomicbasisfunction.h>

Public Member Functions
	AtomicBasisFunction ()
const vector < GaussianTypeOrbital > &	orbitals () const
void	setOrbitals (const vector< GaussianTypeOrbital > &orbitals)
double	weight () const
void	setWeight (double weight)
vec	nucleusPosition () const
void	setNucleusPosition (const vec &nucleusPosition)
int	xExponent () const
void	setXExponent (int xExponent)
int	yExponent () const
void	setYExponent (int yExponent)
int	zExponent () const
void	setZExponent (int zExponent)

Detailed Description

Definition at line 9 of file atomicbasisfunction.h.

Constructor & Destructor Documentation

AtomicBasisFunction::AtomicBasisFunction

(

)

Definition at line 3 of file atomicbasisfunction.cpp.

                                         :
    m_weight(0),
    m_nucleusPosition(zeros(3)),
    m_xExponent(0),
    m_yExponent(0),
    m_zExponent(0)
{
}

Member Function Documentation

vec AtomicBasisFunction::nucleusPosition

(

)

const

Definition at line 29 of file atomicbasisfunction.cpp.

{
    return m_nucleusPosition;
}

const vector< GaussianTypeOrbital > & AtomicBasisFunction::orbitals

(

)

const

Definition at line 11 of file atomicbasisfunction.cpp.

{
    return m_orbitals;
}

void AtomicBasisFunction::setNucleusPosition

(

const vec &

nucleusPosition)

Definition at line 34 of file atomicbasisfunction.cpp.

{
    m_nucleusPosition = nucleusPosition;
}

void AtomicBasisFunction::setOrbitals

(

const vector< GaussianTypeOrbital > &

orbitals)

Definition at line 16 of file atomicbasisfunction.cpp.

{
    m_orbitals = orbitals;
}

void AtomicBasisFunction::setWeight

(

double

weight)

Definition at line 25 of file atomicbasisfunction.cpp.

{
    m_weight = weight;
}

void AtomicBasisFunction::setXExponent

(

int

xExponent)

Definition at line 43 of file atomicbasisfunction.cpp.

{
    m_xExponent = xExponent;
}

void AtomicBasisFunction::setYExponent

(

int

yExponent)

Definition at line 52 of file atomicbasisfunction.cpp.

{
    m_yExponent = yExponent;
}

void AtomicBasisFunction::setZExponent

(

int

zExponent)

Definition at line 61 of file atomicbasisfunction.cpp.

{
    m_zExponent = zExponent;
}

double AtomicBasisFunction::weight

(

)

const

Definition at line 20 of file atomicbasisfunction.cpp.

{
    return m_weight;
}

int AtomicBasisFunction::xExponent

(

)

const

Definition at line 38 of file atomicbasisfunction.cpp.

{
    return m_xExponent;
}

int AtomicBasisFunction::yExponent

(

)

const

Definition at line 47 of file atomicbasisfunction.cpp.

{
    return m_yExponent;
}

int AtomicBasisFunction::zExponent

(

)

const

Definition at line 56 of file atomicbasisfunction.cpp.

{
    return m_zExponent;
}

---

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

• /home/svenni/Dropbox/projects/programming/hartree-fock/hartree-fock/src/basisfunctions/atomicbasisfunction.h
• /home/svenni/Dropbox/projects/programming/hartree-fock/hartree-fock/src/basisfunctions/atomicbasisfunction.cpp