votca::xtp::ECPElement Class Reference

#include <ecpbasisset.h>

Collaboration diagram for votca::xtp::ECPElement:

Public Types
using	ECPShellIterator = std::vector<ECPShell>::const_iterator

Public Member Functions
	ECPElement (std::string type, L lmax, Index ncore)
ECPShellIterator	begin () const
ECPShellIterator	end () const
const std::string &	getType () const
L	getLmax () const
Index	getNcore () const
ECPShell &	addShell (L l)
Index	NumOfShells () const

Private Attributes
std::string	type_
L	lmax_
Index	ncore_
std::vector< ECPShell >	shells_

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

Detailed Description

Definition at line 76 of file ecpbasisset.h.

Member Typedef Documentation

ECPShellIterator

using votca::xtp::ECPElement::ECPShellIterator = std::vector<ECPShell>::const_iterator

Definition at line 82 of file ecpbasisset.h.

Constructor & Destructor Documentation

ECPElement()

votca::xtp::ECPElement::ECPElement ( std::string type, L lmax, Index ncore )

inline

Definition at line 78 of file ecpbasisset.h.

Member Function Documentation

addShell()

ECPShell & votca::xtp::ECPElement::addShell ( L l )

inline

Definition at line 92 of file ecpbasisset.h.

begin()

ECPShellIterator votca::xtp::ECPElement::begin ( ) const

inline

Definition at line 83 of file ecpbasisset.h.

end()

ECPShellIterator votca::xtp::ECPElement::end ( ) const

inline

Definition at line 84 of file ecpbasisset.h.

getLmax()

L votca::xtp::ECPElement::getLmax ( ) const

inline

Definition at line 88 of file ecpbasisset.h.

getNcore()

Index votca::xtp::ECPElement::getNcore ( ) const

inline

Definition at line 90 of file ecpbasisset.h.

getType()

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

inline

Definition at line 86 of file ecpbasisset.h.

NumOfShells()

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

inline

Definition at line 97 of file ecpbasisset.h.

Friends And Related Symbol Documentation

operator<<

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

friend

Definition at line 112 of file ecpbasisset.cc.

Member Data Documentation

lmax_

L votca::xtp::ECPElement::lmax_

private

Definition at line 104 of file ecpbasisset.h.

ncore_

Index votca::xtp::ECPElement::ncore_

private

Definition at line 106 of file ecpbasisset.h.

shells_

std::vector<ECPShell> votca::xtp::ECPElement::shells_

private

Definition at line 108 of file ecpbasisset.h.

type_

std::string votca::xtp::ECPElement::type_

private

Definition at line 102 of file ecpbasisset.h.

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

• xtp/include/votca/xtp/ecpbasisset.h