mpqc::lcao::f12::GTGParams Struct Reference

Public Member Functions
	GTGParams ()=default
	GTGParams (double zeta, std::size_t n=6)
	GTGParams (std::string basis_name, std::size_t n=6)
std::vector< std::pair< double, double > >	compute ()

Public Attributes
double	exponent
std::size_t	n_fit

Constructor & Destructor Documentation

GTGParams() [1/3]

mpqc::lcao::f12::GTGParams::GTGParams ( )

default

GTGParams() [2/3]

mpqc::lcao::f12::GTGParams::GTGParams ( double  zeta, std::size_t  n = 6  )

inline

GTGParams() [3/3]

mpqc::lcao::f12::GTGParams::GTGParams ( std::string  basis_name, std::size_t  n = 6  )

inline

Member Function Documentation

compute()

std::vector<std::pair<double, double> > mpqc::lcao::f12::GTGParams::compute ( )

inline

Member Data Documentation

exponent

double mpqc::lcao::f12::GTGParams::exponent

n_fit

std::size_t mpqc::lcao::f12::GTGParams::n_fit

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

• mpqc/chemistry/qc/lcao/integrals/f12_utility.h