votca::xtp::ECPBasisSet Class Reference

#include <ecpbasisset.h>

Collaboration diagram for votca::xtp::ECPBasisSet:

Public Member Functions
void	Load (const std::string &name)
ECPElement &	addElement (std::string elementType, L lmax, Index ncore)
const ECPElement &	getElement (std::string element_type) const
std::map< std::string, std::shared_ptr< ECPElement > >::iterator	begin ()
std::map< std::string, std::shared_ptr< ECPElement > >::iterator	end ()
const std::string &	Name () const
std::map< std::string, std::shared_ptr< ECPElement > >::const_iterator	begin () const
std::map< std::string, std::shared_ptr< ECPElement > >::const_iterator	end () const

Private Attributes
std::string	name_
std::map< std::string, std::shared_ptr< ECPElement > >	elements_

Friends
std::ostream &	operator<< (std::ostream &out, const ECPBasisSet &basis)

Detailed Description

Definition at line 114 of file ecpbasisset.h.

Member Function Documentation

addElement()

ECPElement & votca::xtp::ECPBasisSet::addElement	(	std::string	elementType,
		L	lmax,
		Index	ncore )

Definition at line 82 of file ecpbasisset.cc.

begin() [1/2]

std::map< std::string, std::shared_ptr< ECPElement > >::iterator votca::xtp::ECPBasisSet::begin ( )

inline

Definition at line 122 of file ecpbasisset.h.

begin() [2/2]

std::map< std::string, std::shared_ptr< ECPElement > >::const_iterator votca::xtp::ECPBasisSet::begin ( ) const

inline

Definition at line 131 of file ecpbasisset.h.

end() [1/2]

std::map< std::string, std::shared_ptr< ECPElement > >::iterator votca::xtp::ECPBasisSet::end ( )

inline

Definition at line 125 of file ecpbasisset.h.

end() [2/2]

std::map< std::string, std::shared_ptr< ECPElement > >::const_iterator votca::xtp::ECPBasisSet::end ( ) const

inline

Definition at line 135 of file ecpbasisset.h.

getElement()

const ECPElement & votca::xtp::ECPBasisSet::getElement

(

std::string

element_type

)

const

Definition at line 89 of file ecpbasisset.cc.

Load()

void votca::xtp::ECPBasisSet::Load

(

const std::string &

name

)

Definition at line 31 of file ecpbasisset.cc.

Name()

const std::string & votca::xtp::ECPBasisSet::Name ( ) const

inline

Definition at line 129 of file ecpbasisset.h.

Friends And Related Symbol Documentation

operator<<

std::ostream & operator<< ( std::ostream & out, const ECPBasisSet & basis )

friend

Definition at line 121 of file ecpbasisset.cc.

Member Data Documentation

elements_

std::map<std::string, std::shared_ptr<ECPElement> > votca::xtp::ECPBasisSet::elements_

private

Definition at line 144 of file ecpbasisset.h.

name_

std::string votca::xtp::ECPBasisSet::name_

private

Definition at line 143 of file ecpbasisset.h.

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

• xtp/include/votca/xtp/ecpbasisset.h
• xtp/src/libxtp/ecpbasisset.cc