votca::xtp::Element Class Reference

#include <basisset.h>

Collaboration diagram for votca::xtp::Element:

Public Types
using	ShellIterator = std::vector< Shell >::const_iterator

Public Member Functions
	Element (std::string type)
ShellIterator	begin () const
ShellIterator	end () const
const std::string &	getType () const
Shell &	addShell (L l, double shellScale)
Index	NumOfShells () const

Private Attributes
std::string	type_
std::vector< Shell >	shells_

Friends
std::ostream &	operator<< (std::ostream &out, const Element &element)

Detailed Description

Definition at line 107 of file basisset.h.

Member Typedef Documentation

ShellIterator

using votca::xtp::Element::ShellIterator = std::vector<Shell>::const_iterator

Definition at line 111 of file basisset.h.

Constructor & Destructor Documentation

Element()

votca::xtp::Element::Element ( std::string  type )

inline

Definition at line 110 of file basisset.h.

Member Function Documentation

addShell()

Shell & votca::xtp::Element::addShell ( L  l, double  shellScale  )

inline

Definition at line 117 of file basisset.h.

begin()

ShellIterator votca::xtp::Element::begin ( ) const

inline

Definition at line 112 of file basisset.h.

end()

ShellIterator votca::xtp::Element::end ( ) const

inline

Definition at line 113 of file basisset.h.

getType()

const std::string & votca::xtp::Element::getType ( ) const

inline

Definition at line 115 of file basisset.h.

NumOfShells()

Index votca::xtp::Element::NumOfShells ( ) const

inline

Definition at line 122 of file basisset.h.

Friends And Related Symbol Documentation

operator<<

std::ostream & operator<< ( std::ostream &  out, const Element &  element  )

friend

Definition at line 234 of file basisset.cc.

Member Data Documentation

shells_

std::vector<Shell> votca::xtp::Element::shells_

private

Definition at line 128 of file basisset.h.

type_

std::string votca::xtp::Element::type_

private

Definition at line 127 of file basisset.h.

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The documentation for this class was generated from the following file:

• xtp/include/votca/xtp/basisset.h