occ::io::BasisSetInput Struct Reference

#include <occ_input.h>

Public Attributes
std::string	name {"3-21G"}
std::string	df_name {""}
std::string	ri_basis {""}
std::string	basis_set_directory {""}
double	df_auto_threshold {1e-4}
	Cholesky threshold for auto aux basis.
bool	spherical {false}

Member Data Documentation

basis_set_directory

std::string occ::io::BasisSetInput::basis_set_directory {""}

df_auto_threshold

double occ::io::BasisSetInput::df_auto_threshold {1e-4}

Cholesky threshold for auto aux basis.

df_name

std::string occ::io::BasisSetInput::df_name {""}

name

std::string occ::io::BasisSetInput::name {"3-21G"}

ri_basis

std::string occ::io::BasisSetInput::ri_basis {""}

spherical

bool occ::io::BasisSetInput::spherical {false}

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

• /home/runner/work/occ/occ/include/occ/io/occ_input.h