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]

◆ AtomBasedClusterModel() [2/3]

◆ AtomBasedClusterModel() [3/3]

Member Function Documentation

◆ apply_()

◆ atoms_()

◆ center_()

◆ com_()

◆ mass_()

◆ natoms_()

◆ operator=() [1/2]

◆ operator=() [2/2]

◆ print_()

◆ total_atomic_number_()

◆ update_()

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

• mpqc/chemistry/molecule/atom_based_cluster_concept.h