occ::io::ECPShell Struct Reference

#include <json_basis.h>

Public Attributes
std::string	ecp_type
std::vector< int >	angular_momentum
std::vector< double >	exponents
std::vector< int >	r_exponents
std::vector< std::vector< double > >	coefficients

Member Data Documentation

angular_momentum

std::vector<int> occ::gto::io::ECPShell::angular_momentum

coefficients

std::vector<std::vector<double> > occ::gto::io::ECPShell::coefficients

ecp_type

std::string occ::gto::io::ECPShell::ecp_type

exponents

std::vector<double> occ::gto::io::ECPShell::exponents

r_exponents

std::vector<int> occ::gto::io::ECPShell::r_exponents

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

• /home/runner/work/occ/occ/include/occ/gto/io/json_basis.h