occ::io::BeckeGridSettings Struct Reference

#include <grid_settings.h>

Collaboration diagram for occ::io::BeckeGridSettings:

Public Member Functions
bool	operator== (const BeckeGridSettings &rhs) const
bool	operator!= (const BeckeGridSettings &rhs) const

Public Attributes
size_t	max_angular_points {302}
size_t	min_angular_points {50}
size_t	radial_points {65}
double	radial_precision {1e-8}
bool	reduced_first_row_element_grid {true}
std::string	pruning_scheme {"nwchem"}
std::string	filename {""}

Member Function Documentation

operator!=()

bool occ::io::BeckeGridSettings::operator!= ( const BeckeGridSettings &  rhs ) const

inline

operator==()

bool occ::io::BeckeGridSettings::operator== ( const BeckeGridSettings &  rhs ) const

inline

Member Data Documentation

filename

std::string occ::io::BeckeGridSettings::filename {""}

max_angular_points

size_t occ::io::BeckeGridSettings::max_angular_points {302}

min_angular_points

size_t occ::io::BeckeGridSettings::min_angular_points {50}

pruning_scheme

std::string occ::io::BeckeGridSettings::pruning_scheme {"nwchem"}

radial_points

size_t occ::io::BeckeGridSettings::radial_points {65}

radial_precision

double occ::io::BeckeGridSettings::radial_precision {1e-8}

reduced_first_row_element_grid

bool occ::io::BeckeGridSettings::reduced_first_row_element_grid {true}

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

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