#include <ecpbasisset.h>
Definition at line 114 of file ecpbasisset.h.
◆ addElement()
ECPElement & votca::xtp::ECPBasisSet::addElement |
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std::string |
elementType, |
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L |
lmax, |
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Index |
ncore |
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) |
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◆ begin() [1/2]
std::map< std::string, std::shared_ptr< ECPElement > >::iterator votca::xtp::ECPBasisSet::begin |
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inline |
◆ begin() [2/2]
std::map< std::string, std::shared_ptr< ECPElement > >::const_iterator votca::xtp::ECPBasisSet::begin |
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const |
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inline |
◆ end() [1/2]
std::map< std::string, std::shared_ptr< ECPElement > >::iterator votca::xtp::ECPBasisSet::end |
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inline |
◆ end() [2/2]
std::map< std::string, std::shared_ptr< ECPElement > >::const_iterator votca::xtp::ECPBasisSet::end |
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const |
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inline |
◆ getElement()
const ECPElement & votca::xtp::ECPBasisSet::getElement |
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std::string |
element_type | ) |
const |
◆ Load()
void votca::xtp::ECPBasisSet::Load |
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const std::string & |
name | ) |
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◆ Name()
const std::string & votca::xtp::ECPBasisSet::Name |
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const |
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inline |
◆ operator<<
std::ostream & operator<< |
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std::ostream & |
out, |
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const ECPBasisSet & |
basis |
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friend |
◆ elements_
std::map<std::string, std::shared_ptr<ECPElement> > votca::xtp::ECPBasisSet::elements_ |
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private |
◆ name_
std::string votca::xtp::ECPBasisSet::name_ |
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private |
The documentation for this class was generated from the following files: