mpqc::AtomBasedClusterModel< T > Class Template Reference

Collaboration diagram for mpqc::AtomBasedClusterModel< T >:

Public Member Functions
	AtomBasedClusterModel (T t)
	AtomBasedClusterModel (const AtomBasedClusterModel &c)=default
	AtomBasedClusterModel (AtomBasedClusterModel &&c)=default
AtomBasedClusterModel &	operator= (const AtomBasedClusterModel &c)=default
AtomBasedClusterModel &	operator= (AtomBasedClusterModel &&c)=default
Vector3d const &	center_ () const override final
Vector3d const &	com_ () const override final
int64_t	total_atomic_number_ () const override final
double	mass_ () const override final
std::vector< Atom >	atoms_ () const override final
void	update_ (const std::vector< Atom > &atoms, size_t &pos) override final
void	apply_ (const std::function< void(Atom &)> &op) override final
size_t	natoms_ () const override final
std::ostream &	print_ (std::ostream &os) const override final
Public Member Functions inherited from mpqc::AtomBasedClusterConcept
virtual	~AtomBasedClusterConcept () noexcept=default
Public Member Functions inherited from mpqc::ClusterConcept
virtual	~ClusterConcept ()

Constructor & Destructor Documentation

AtomBasedClusterModel() [1/3]

template<typename T >

mpqc::AtomBasedClusterModel< T >::AtomBasedClusterModel ( T  t )

inline

AtomBasedClusterModel() [2/3]

template<typename T >

mpqc::AtomBasedClusterModel< T >::AtomBasedClusterModel ( const AtomBasedClusterModel< T > &  c )

default

AtomBasedClusterModel() [3/3]

template<typename T >

mpqc::AtomBasedClusterModel< T >::AtomBasedClusterModel ( AtomBasedClusterModel< T > &&  c )

default

Member Function Documentation

apply_()

template<typename T >

void mpqc::AtomBasedClusterModel< T >::apply_ ( const std::function< void(Atom &)> &  op )

inlinefinaloverridevirtual

Implements mpqc::AtomBasedClusterConcept.

atoms_()

template<typename T >

std::vector<Atom> mpqc::AtomBasedClusterModel< T >::atoms_ ( ) const

inlinefinaloverridevirtual

Implements mpqc::AtomBasedClusterConcept.

center_()

template<typename T >

Vector3d const& mpqc::AtomBasedClusterModel< T >::center_ ( ) const

inlinefinaloverridevirtual

Implements mpqc::ClusterConcept.

com_()

template<typename T >

Vector3d const& mpqc::AtomBasedClusterModel< T >::com_ ( ) const

inlinefinaloverridevirtual

Implements mpqc::AtomBasedClusterConcept.

mass_()

template<typename T >

double mpqc::AtomBasedClusterModel< T >::mass_ ( ) const

inlinefinaloverridevirtual

Implements mpqc::AtomBasedClusterConcept.

natoms_()

template<typename T >

size_t mpqc::AtomBasedClusterModel< T >::natoms_ ( ) const

inlinefinaloverridevirtual

Implements mpqc::AtomBasedClusterConcept.

operator=() [1/2]

template<typename T >

AtomBasedClusterModel& mpqc::AtomBasedClusterModel< T >::operator= ( AtomBasedClusterModel< T > &&  c )

default

operator=() [2/2]

template<typename T >

AtomBasedClusterModel& mpqc::AtomBasedClusterModel< T >::operator= ( const AtomBasedClusterModel< T > &  c )

default

print_()

template<typename T >

std::ostream& mpqc::AtomBasedClusterModel< T >::print_ ( std::ostream &  os ) const

inlinefinaloverridevirtual

Implements mpqc::ClusterConcept.

total_atomic_number_()

template<typename T >

int64_t mpqc::AtomBasedClusterModel< T >::total_atomic_number_ ( ) const

inlinefinaloverridevirtual

Implements mpqc::AtomBasedClusterConcept.

update_()

template<typename T >

void mpqc::AtomBasedClusterModel< T >::update_ ( const std::vector< Atom > &  atoms, size_t &  pos  )

inlinefinaloverridevirtual

Implements mpqc::AtomBasedClusterConcept.

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

• mpqc/chemistry/molecule/atom_based_cluster_concept.h