occ::qm::cint::impl::AtomInfo Struct Reference

#include <cint_interface.h>

Public Member Functions
void	set_charge (int charge)
int	charge () const
void	set_env_coord_offset (int offset)
int	env_coord_offset () const
void	set_nuclear_model (int model)
int	nuclear_model () const
void	set_env_nuclear_charge_dist_offset (int offset)
int	set_env_nuclear_charge_dist_offset () const

Public Attributes
int	data [6] = {0, 0, 0, 0, 0, 0}

Static Public Attributes
static constexpr int	_charge_offset {0}
static constexpr int	_env_coord_offset {1}
static constexpr int	_nuclear_model_offset {2}
static constexpr int	_env_nuclear_charge_dist_offset {3}

Member Function Documentation

charge()

int occ::qm::cint::impl::AtomInfo::charge ( ) const

inline

env_coord_offset()

int occ::qm::cint::impl::AtomInfo::env_coord_offset ( ) const

inline

nuclear_model()

int occ::qm::cint::impl::AtomInfo::nuclear_model ( ) const

inline

set_charge()

void occ::qm::cint::impl::AtomInfo::set_charge ( int  charge )

inline

set_env_coord_offset()

void occ::qm::cint::impl::AtomInfo::set_env_coord_offset ( int  offset )

inline

set_env_nuclear_charge_dist_offset() [1/2]

int occ::qm::cint::impl::AtomInfo::set_env_nuclear_charge_dist_offset ( ) const

inline

set_env_nuclear_charge_dist_offset() [2/2]

void occ::qm::cint::impl::AtomInfo::set_env_nuclear_charge_dist_offset ( int  offset )

inline

set_nuclear_model()

void occ::qm::cint::impl::AtomInfo::set_nuclear_model ( int  model )

inline

Member Data Documentation

_charge_offset

constexpr int occ::qm::cint::impl::AtomInfo::_charge_offset {0}

staticconstexpr

_env_coord_offset

constexpr int occ::qm::cint::impl::AtomInfo::_env_coord_offset {1}

staticconstexpr

_env_nuclear_charge_dist_offset

constexpr int occ::qm::cint::impl::AtomInfo::_env_nuclear_charge_dist_offset {3}

staticconstexpr

_nuclear_model_offset

constexpr int occ::qm::cint::impl::AtomInfo::_nuclear_model_offset {2}

staticconstexpr

data

int occ::qm::cint::impl::AtomInfo::data[6] = {0, 0, 0, 0, 0, 0}

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

• /home/runner/work/occ/occ/include/occ/qm/cint_interface.h