mpqc::AtomBasedClusterConcept Class Reference

Collaboration diagram for mpqc::AtomBasedClusterConcept:

Public Member Functions
virtual	~AtomBasedClusterConcept () noexcept=default
virtual int64_t	total_atomic_number_ () const =0
virtual double	mass_ () const =0
virtual Vector3d const &	com_ () const =0
virtual std::vector< Atom >	atoms_ () const =0
virtual size_t	natoms_ () const =0
virtual void	update_ (const std::vector< Atom > &atoms, size_t &pos)=0
virtual void	apply_ (const std::function< void(Atom &)> &op)=0
Public Member Functions inherited from mpqc::ClusterConcept
virtual	~ClusterConcept ()
virtual Vector3d const &	center_ () const =0
virtual std::ostream &	print_ (std::ostream &) const =0

Constructor & Destructor Documentation

~AtomBasedClusterConcept()

virtual mpqc::AtomBasedClusterConcept::~AtomBasedClusterConcept ( )

virtualdefaultnoexcept

Member Function Documentation

apply_()

virtual void mpqc::AtomBasedClusterConcept::apply_ ( const std::function< void(Atom &)> &  op )

pure virtual

Implemented in mpqc::AtomBasedClusterModel< T >.

atoms_()

virtual std::vector<Atom> mpqc::AtomBasedClusterConcept::atoms_ ( ) const

pure virtual

Implemented in mpqc::AtomBasedClusterModel< T >.

com_()

virtual Vector3d const& mpqc::AtomBasedClusterConcept::com_ ( ) const

pure virtual

Implemented in mpqc::AtomBasedClusterModel< T >.

mass_()

virtual double mpqc::AtomBasedClusterConcept::mass_ ( ) const

pure virtual

Implemented in mpqc::AtomBasedClusterModel< T >.

natoms_()

virtual size_t mpqc::AtomBasedClusterConcept::natoms_ ( ) const

pure virtual

Implemented in mpqc::AtomBasedClusterModel< T >.

total_atomic_number_()

virtual int64_t mpqc::AtomBasedClusterConcept::total_atomic_number_ ( ) const

pure virtual

Implemented in mpqc::AtomBasedClusterModel< T >.

update_()

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

pure virtual

Implemented in mpqc::AtomBasedClusterModel< T >.

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

• mpqc/chemistry/molecule/atom_based_cluster_concept.h