votca 2024-dev
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votca::xtp::ClassicalSegment< T > Member List

This is the complete list of members for votca::xtp::ClassicalSegment< T >, including all inherited members.

at(Index index) constvotca::xtp::AtomContainer< T >inline
at(Index index)votca::xtp::AtomContainer< T >inline
Atom_Type typedefvotca::xtp::AtomContainer< T >
AtomContainer(std::string type, Index id)votca::xtp::AtomContainer< T >inline
AtomContainer(CheckpointReader &r)votca::xtp::AtomContainer< T >inline
atomlist_votca::xtp::AtomContainer< T >protected
begin()votca::xtp::AtomContainer< T >inline
begin() constvotca::xtp::AtomContainer< T >inline
CalcDipole() constvotca::xtp::ClassicalSegment< T >
calcPos()votca::xtp::AtomContainer< T >inline
CalcSpatialMinMax() constvotca::xtp::AtomContainer< T >inline
CalcTotalQ() constvotca::xtp::ClassicalSegment< T >
ClassicalSegment(std::string name, Index id)votca::xtp::ClassicalSegment< T >inline
ClassicalSegment(CheckpointReader &r)votca::xtp::ClassicalSegment< T >inline
clearAtoms()votca::xtp::AtomContainer< T >inline
end()votca::xtp::AtomContainer< T >inline
end() constvotca::xtp::AtomContainer< T >inline
FindUniqueElements() constvotca::xtp::AtomContainer< T >inline
getId() constvotca::xtp::AtomContainer< T >inline
getPos() constvotca::xtp::AtomContainer< T >inline
getType() constvotca::xtp::AtomContainer< T >inline
id_votca::xtp::AtomContainer< T >protected
identify() constvotca::xtp::ClassicalSegment< T >
identify() constvotca::xtp::ClassicalSegment< T >
identify() constvotca::xtp::ClassicalSegment< T >
iterator typedefvotca::xtp::AtomContainer< T >
LoadFromFile(std::string filename)votca::xtp::ClassicalSegment< T >
operator<<votca::xtp::ClassicalSegment< T >friend
operator[](Index index) constvotca::xtp::AtomContainer< T >inline
operator[](Index index)votca::xtp::AtomContainer< T >inline
pos_votca::xtp::AtomContainer< T >private
push_back(const T &atom)votca::xtp::AtomContainer< T >inline
push_back(T &&atom)votca::xtp::AtomContainer< T >inline
ReadFromCpt(CheckpointReader &r)votca::xtp::AtomContainer< T >inlinevirtual
Rotate(const Eigen::Matrix3d &R, const Eigen::Vector3d &ref_pos)votca::xtp::AtomContainer< T >inline
setType(std::string type)votca::xtp::AtomContainer< T >inline
size() constvotca::xtp::AtomContainer< T >inline
Translate(const Eigen::Vector3d &shift)votca::xtp::AtomContainer< T >inline
type_votca::xtp::AtomContainer< T >protected
WriteMPS(std::string filename, std::string header) constvotca::xtp::ClassicalSegment< T >
WriteToCpt(CheckpointWriter &w) constvotca::xtp::AtomContainer< T >inlinevirtual
~AtomContainer()=defaultvotca::xtp::AtomContainer< T >virtual