occ::xtb::Gfn2Parameters Class Reference

#include <gfn2_parameters.h>

Public Member Functions
const std::string &	method () const
const std::string &	doi () const
int	max_z () const
const GlobalParam &	globals () const
const ElementParam *	element (int z) const
const std::vector< ElementParam > &	elements () const
void	set_method (std::string s)
void	set_doi (std::string s)
void	set_globals (GlobalParam g)
void	add_element (ElementParam e)

Static Public Member Functions
static Gfn2Parameters	load_default ()
static Gfn2Parameters	load (const std::string &path)

Member Function Documentation

add_element()

void occ::xtb::Gfn2Parameters::add_element ( ElementParam  e )

inline

doi()

const std::string & occ::xtb::Gfn2Parameters::doi ( ) const

inline

element()

const ElementParam * occ::xtb::Gfn2Parameters::element

(

int

z

)

const

elements()

const std::vector< ElementParam > & occ::xtb::Gfn2Parameters::elements ( ) const

inline

globals()

const GlobalParam & occ::xtb::Gfn2Parameters::globals ( ) const

inline

load()

static Gfn2Parameters occ::xtb::Gfn2Parameters::load ( const std::string &  path )

static

load_default()

static Gfn2Parameters occ::xtb::Gfn2Parameters::load_default ( )

static

max_z()

int occ::xtb::Gfn2Parameters::max_z ( ) const

inline

method()

const std::string & occ::xtb::Gfn2Parameters::method ( ) const

inline

set_doi()

void occ::xtb::Gfn2Parameters::set_doi ( std::string  s )

inline

set_globals()

void occ::xtb::Gfn2Parameters::set_globals ( GlobalParam  g )

inline

set_method()

void occ::xtb::Gfn2Parameters::set_method ( std::string  s )

inline

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

• /home/runner/work/occ/occ/include/occ/xtb/gfn2_parameters.h