occ::qm::cint::impl::BasisInfo Struct Reference

#include <cint_interface.h>

Public Member Functions
void	set_env_atom_offset (int offset)
int	env_atom_offset () const
void	set_angular_momentum (int offset)
int	angular_momentum () const
void	set_num_primitives (int num_prim)
int	num_primitives () const
void	set_num_contracted (int num_contracted)
int	num_contracted () const
void	set_kappa (int kappa)
int	kappa () const
void	set_env_primitive_offset (int offset)
int	env_primitive_offset () const
void	set_env_contraction_offset (int offset)
int	env_contraction_offset () const

Public Attributes
int	data [8] = {0, 0, 0, 0, 0, 0, 0, 0}

Static Public Attributes
static constexpr int	_env_atom_offset {0}
static constexpr int	_angular_momentum_offset {1}
static constexpr int	_num_prim_offset {2}
static constexpr int	_num_contracted_offset {3}
static constexpr int	_kappa_offset {4}
static constexpr int	_env_primitive_offset {5}
static constexpr int	_env_contraction_offset {6}

Member Function Documentation

angular_momentum()

int occ::qm::cint::impl::BasisInfo::angular_momentum ( ) const

inline

env_atom_offset()

int occ::qm::cint::impl::BasisInfo::env_atom_offset ( ) const

inline

env_contraction_offset()

int occ::qm::cint::impl::BasisInfo::env_contraction_offset ( ) const

inline

env_primitive_offset()

int occ::qm::cint::impl::BasisInfo::env_primitive_offset ( ) const

inline

kappa()

int occ::qm::cint::impl::BasisInfo::kappa ( ) const

inline

num_contracted()

int occ::qm::cint::impl::BasisInfo::num_contracted ( ) const

inline

num_primitives()

int occ::qm::cint::impl::BasisInfo::num_primitives ( ) const

inline

set_angular_momentum()

void occ::qm::cint::impl::BasisInfo::set_angular_momentum ( int  offset )

inline

set_env_atom_offset()

void occ::qm::cint::impl::BasisInfo::set_env_atom_offset ( int  offset )

inline

set_env_contraction_offset()

void occ::qm::cint::impl::BasisInfo::set_env_contraction_offset ( int  offset )

inline

set_env_primitive_offset()

void occ::qm::cint::impl::BasisInfo::set_env_primitive_offset ( int  offset )

inline

set_kappa()

void occ::qm::cint::impl::BasisInfo::set_kappa ( int  kappa )

inline

set_num_contracted()

void occ::qm::cint::impl::BasisInfo::set_num_contracted ( int  num_contracted )

inline

set_num_primitives()

void occ::qm::cint::impl::BasisInfo::set_num_primitives ( int  num_prim )

inline

Member Data Documentation

_angular_momentum_offset

constexpr int occ::qm::cint::impl::BasisInfo::_angular_momentum_offset {1}

staticconstexpr

_env_atom_offset

constexpr int occ::qm::cint::impl::BasisInfo::_env_atom_offset {0}

staticconstexpr

_env_contraction_offset

constexpr int occ::qm::cint::impl::BasisInfo::_env_contraction_offset {6}

staticconstexpr

_env_primitive_offset

constexpr int occ::qm::cint::impl::BasisInfo::_env_primitive_offset {5}

staticconstexpr

_kappa_offset

constexpr int occ::qm::cint::impl::BasisInfo::_kappa_offset {4}

staticconstexpr

_num_contracted_offset

constexpr int occ::qm::cint::impl::BasisInfo::_num_contracted_offset {3}

staticconstexpr

_num_prim_offset

constexpr int occ::qm::cint::impl::BasisInfo::_num_prim_offset {2}

staticconstexpr

data

int occ::qm::cint::impl::BasisInfo::data[8] = {0, 0, 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