mpqc::TA::cluster::ClusterAtom Member List

This is the complete list of members for mpqc::TA::cluster::ClusterAtom, including all inherited members.

Atom(int Z, double x, double y, double z, const std::string &label, double mass=0, int have_charge=0, double charge=0, int have_fragment=0, int fragment=0)	sc::Atom	inline
Atom(int Z, double x, double y, double z, const char *label=0, double mass=0, int have_charge=0, double charge=0, int have_fragment=0, int fragment=0)	sc::Atom	inline
Atom()	sc::Atom	inline
Atom(const Atom &other) (defined in sc::Atom)	sc::Atom	inline
charge() const (defined in sc::Atom)	sc::Atom	inline
ClusterAtom(const sc::Atom &atom, std::size_t index) (defined in mpqc::TA::cluster::ClusterAtom)	mpqc::TA::cluster::ClusterAtom	inline
fragment() const (defined in sc::Atom)	sc::Atom	inline
have_charge() const (defined in sc::Atom)	sc::Atom	inline
have_fragment() const (defined in sc::Atom)	sc::Atom	inline
label() const (defined in sc::Atom)	sc::Atom	inline
mass() const (defined in sc::Atom)	sc::Atom	inline
mol_index() const (defined in mpqc::TA::cluster::ClusterAtom)	mpqc::TA::cluster::ClusterAtom	inline
r(int xyz)	sc::Atom	inline
r(int xyz) const (defined in sc::Atom)	sc::Atom	inline
r()	sc::Atom	inline
r() const (defined in sc::Atom)	sc::Atom	inline
Z() const	sc::Atom	inline