votca::xtp::Atom Member List

This is the complete list of members for votca::xtp::Atom, including all inherited members.

Atom(Index resnr, std::string md_atom_name, Index atom_id, Eigen::Vector3d pos, std::string element)	votca::xtp::Atom
Atom(Index atom_id, std::string element, Eigen::Vector3d pos)	votca::xtp::Atom
Atom(data &d)	votca::xtp::Atom	inline
element_	votca::xtp::Atom	private
getElement() const	votca::xtp::Atom	inline
GetElementFromString(const std::string &MDName)	votca::xtp::Atom	static
getId() const	votca::xtp::Atom	inline
getName() const	votca::xtp::Atom	inline
getPos() const	votca::xtp::Atom	inline
getResnr() const	votca::xtp::Atom	inline
id_	votca::xtp::Atom	private
identify() const	votca::xtp::Atom	inline
name_	votca::xtp::Atom	private
operator<<(std::ostream &out, const Atom &atom)	votca::xtp::Atom	friend
pos_	votca::xtp::Atom	private
ReadData(const data &d)	votca::xtp::Atom
resnr_	votca::xtp::Atom	private
Rotate(const Eigen::Matrix3d &R, const Eigen::Vector3d &refPos)	votca::xtp::Atom
setPos(const Eigen::Vector3d &r)	votca::xtp::Atom	inline
setResnr(Index resnr)	votca::xtp::Atom	inline
SetupCptTable(CptTable &table)	votca::xtp::Atom	static
Translate(const Eigen::Vector3d &shift)	votca::xtp::Atom	inline
WriteData(data &d) const	votca::xtp::Atom