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votca 2025.1-dev
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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 |