mpqc::Atom Member List
This is the complete list of members for mpqc::Atom, including all inherited members.
Atom()=default | mpqc::Atom | |
Atom(const Atom &atom)=default | mpqc::Atom | |
Atom(Atom &&atom)=default | mpqc::Atom | |
Atom(const KeyVal &kv) | mpqc::Atom | |
Atom(Vector3d const ¢er, double mass, int64_t Z, double charge=NAN) | mpqc::Atom | inline |
Atom(int64_t Z, Vector3d const ¢er) | mpqc::Atom | |
atomic_number() const | mpqc::Atom | inline |
center() const | mpqc::Atom | inline |
charge() const | mpqc::Atom | inline |
mass() const | mpqc::Atom | inline |
operator=(const Atom &atom)=default | mpqc::Atom | |
operator=(Atom &&atom)=default | mpqc::Atom | |
xyz_string(bool convert_to_angstroms=true) const | mpqc::Atom |