votca
2026-dev
Loading...
Searching...
No Matches
votca::xtp::QMAtom Member List
This is the complete list of members for
votca::xtp::QMAtom
, including all inherited members.
AddBondedPartner
(Index partner_id)
votca::xtp::QMAtom
inline
bonded_partner_ids_
votca::xtp::QMAtom
private
clearExternalBond
()
votca::xtp::QMAtom
inline
ECPAOBasis
class
votca::xtp::QMAtom
friend
ecpcharge_
votca::xtp::QMAtom
private
element_
votca::xtp::QMAtom
private
external_bond_direction_
votca::xtp::QMAtom
private
external_bond_partner_segment_id_
votca::xtp::QMAtom
private
getBondedPartnerIds
() const
votca::xtp::QMAtom
inline
getElement
() const
votca::xtp::QMAtom
inline
getElementNumber
() const
votca::xtp::QMAtom
inline
getExternalBondDirection
() const
votca::xtp::QMAtom
inline
getExternalBondPartnerSegmentId
() const
votca::xtp::QMAtom
inline
getId
() const
votca::xtp::QMAtom
inline
getNuccharge
() const
votca::xtp::QMAtom
inline
getPos
() const
votca::xtp::QMAtom
inline
has_external_bond_
votca::xtp::QMAtom
private
hasExternalBond
() const
votca::xtp::QMAtom
inline
identify
() const
votca::xtp::QMAtom
inline
index_
votca::xtp::QMAtom
private
kMaxBondedPartners
votca::xtp::QMAtom
static
nuccharge_
votca::xtp::QMAtom
private
operator<<
(std::ostream &out, const QMAtom &atom)
votca::xtp::QMAtom
friend
pos_
votca::xtp::QMAtom
private
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
setBondedPartnerIds
(const Index(&ids)[kMaxBondedPartners])
votca::xtp::QMAtom
inline
setExternalBondDirection
(const Eigen::Vector3d &dir)
votca::xtp::QMAtom
inline
setExternalBondPartnerSegmentId
(Index segment_id)
votca::xtp::QMAtom
inline
setID
(const Index index)
votca::xtp::QMAtom
inline
setPos
(const Eigen::Vector3d &position)
votca::xtp::QMAtom
inline
SetupCptTable
(CptTable &table)
votca::xtp::QMAtom
static
Translate
(const Eigen::Vector3d &shift)
votca::xtp::QMAtom
inline
WriteData
(data &d) const
votca::xtp::QMAtom
Generated by
1.16.1