votca 2024.2-dev
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votca::xtp::QMAtom Member List

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

ECPAOBasis classvotca::xtp::QMAtomfriend
ecpcharge_votca::xtp::QMAtomprivate
element_votca::xtp::QMAtomprivate
getElement() constvotca::xtp::QMAtominline
getElementNumber() constvotca::xtp::QMAtominline
getId() constvotca::xtp::QMAtominline
getNuccharge() constvotca::xtp::QMAtominline
getPos() constvotca::xtp::QMAtominline
identify() constvotca::xtp::QMAtominline
index_votca::xtp::QMAtomprivate
nuccharge_votca::xtp::QMAtomprivate
operator<<(std::ostream &out, const QMAtom &atom)votca::xtp::QMAtomfriend
pos_votca::xtp::QMAtomprivate
QMAtom(Index index, std::string element, Eigen::Vector3d pos)votca::xtp::QMAtom
QMAtom(const data &d)votca::xtp::QMAtom
ReadData(const data &d)votca::xtp::QMAtom
Rotate(const Eigen::Matrix3d &R, const Eigen::Vector3d &refPos)votca::xtp::QMAtom
setID(const Index index)votca::xtp::QMAtominline
setPos(const Eigen::Vector3d &position)votca::xtp::QMAtominline
SetupCptTable(CptTable &table)votca::xtp::QMAtomstatic
Translate(const Eigen::Vector3d &shift)votca::xtp::QMAtominline
WriteData(data &d) constvotca::xtp::QMAtom
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