mpqc::pbc::ma::MultipoleMoments< T, Type, LMAX > Class Template Reference

Collaboration diagram for mpqc::pbc::ma::MultipoleMoments< T, Type, LMAX >:

Documentation

template<typename T, MultipoleMomentsType Type = MultipoleMomentsType::undefined, int LMAX = -1>
class mpqc::pbc::ma::MultipoleMoments< T, Type, LMAX >

Spherical multipole moments.

Public Types
using	base_type = boost::container::small_vector< T, number_of_multipoles(LMAX)>
using	mm_type = MultipoleMomentsType

Public Member Functions
constexpr	MultipoleMoments ()
constexpr	MultipoleMoments (unsigned int lmax)
constexpr	MultipoleMoments (mm_type type)
constexpr	MultipoleMoments (unsigned int lmax, mm_type type)
constexpr unsigned int	lmax () const
template<typename Int1 , typename Int2 >
T &	operator() (Int1 l, Int2 m)
template<typename Int1 , typename Int2 >
const T &	operator() (Int1 l, Int2 m) const
MultipoleMoments &	type (mm_type t)
constexpr mm_type	type () const
template<MultipoleMomentsType NewType>
constexpr MultipoleMoments< T, NewType, LMAX >	to_type () const
template<typename _T , MultipoleMomentsType _Type, int _LMAX>
constexpr void	operator+= (const MultipoleMoments< _T, _Type, _LMAX > &other)
template<typename _T , MultipoleMomentsType _Type, int _LMAX>
constexpr void	operator-= (const MultipoleMoments< _T, _Type, _LMAX > &other)
template<typename _T >
constexpr void	operator*= (_T &&scalar)
template<typename Archive >
void	serialize (Archive &ar)

Static Public Member Functions
template<typename Int1 , typename Int2 >
static std::size_t	ordinal (Int1 l, Int2 m)

Member Typedef Documentation

base_type

template<typename T , MultipoleMomentsType Type = MultipoleMomentsType::undefined, int LMAX = -1>

using mpqc::pbc::ma::MultipoleMoments< T, Type, LMAX >::base_type = boost::container::small_vector<T, number_of_multipoles(LMAX)>

mm_type

template<typename T , MultipoleMomentsType Type = MultipoleMomentsType::undefined, int LMAX = -1>

using mpqc::pbc::ma::MultipoleMoments< T, Type, LMAX >::mm_type = MultipoleMomentsType

Constructor & Destructor Documentation

MultipoleMoments() [1/4]

template<typename T , MultipoleMomentsType Type = MultipoleMomentsType::undefined, int LMAX = -1>

constexpr mpqc::pbc::ma::MultipoleMoments< T, Type, LMAX >::MultipoleMoments ( )

inlineconstexpr

MultipoleMoments() [2/4]

template<typename T , MultipoleMomentsType Type = MultipoleMomentsType::undefined, int LMAX = -1>

constexpr mpqc::pbc::ma::MultipoleMoments< T, Type, LMAX >::MultipoleMoments ( unsigned int  lmax )

inlineconstexpr

MultipoleMoments() [3/4]

template<typename T , MultipoleMomentsType Type = MultipoleMomentsType::undefined, int LMAX = -1>

constexpr mpqc::pbc::ma::MultipoleMoments< T, Type, LMAX >::MultipoleMoments ( mm_type  type )

inlineconstexpr

MultipoleMoments() [4/4]

template<typename T , MultipoleMomentsType Type = MultipoleMomentsType::undefined, int LMAX = -1>

constexpr mpqc::pbc::ma::MultipoleMoments< T, Type, LMAX >::MultipoleMoments ( unsigned int  lmax, mm_type  type  )

inlineconstexpr

Member Function Documentation

lmax()

template<typename T , MultipoleMomentsType Type = MultipoleMomentsType::undefined, int LMAX = -1>

constexpr unsigned int mpqc::pbc::ma::MultipoleMoments< T, Type, LMAX >::lmax ( ) const

inlineconstexpr

Returns

lmax

operator()() [1/2]

template<typename T , MultipoleMomentsType Type = MultipoleMomentsType::undefined, int LMAX = -1>

template<typename Int1 , typename Int2 >

T& mpqc::pbc::ma::MultipoleMoments< T, Type, LMAX >::operator() ( Int1  l, Int2  m  )

inline

operator()() [2/2]

template<typename T , MultipoleMomentsType Type = MultipoleMomentsType::undefined, int LMAX = -1>

template<typename Int1 , typename Int2 >

const T& mpqc::pbc::ma::MultipoleMoments< T, Type, LMAX >::operator() ( Int1  l, Int2  m  ) const

inline

operator*=()

template<typename T , MultipoleMomentsType Type = MultipoleMomentsType::undefined, int LMAX = -1>

template<typename _T >

constexpr void mpqc::pbc::ma::MultipoleMoments< T, Type, LMAX >::operator*= ( _T &&  scalar )

inlineconstexpr

operator+=()

template<typename T , MultipoleMomentsType Type = MultipoleMomentsType::undefined, int LMAX = -1>

template<typename _T , MultipoleMomentsType _Type, int _LMAX>

constexpr void mpqc::pbc::ma::MultipoleMoments< T, Type, LMAX >::operator+= ( const MultipoleMoments< _T, _Type, _LMAX > &  other )

inlineconstexpr

operator-=()

template<typename T , MultipoleMomentsType Type = MultipoleMomentsType::undefined, int LMAX = -1>

template<typename _T , MultipoleMomentsType _Type, int _LMAX>

constexpr void mpqc::pbc::ma::MultipoleMoments< T, Type, LMAX >::operator-= ( const MultipoleMoments< _T, _Type, _LMAX > &  other )

inlineconstexpr

ordinal()

template<typename T , MultipoleMomentsType Type = MultipoleMomentsType::undefined, int LMAX = -1>

template<typename Int1 , typename Int2 >

static std::size_t mpqc::pbc::ma::MultipoleMoments< T, Type, LMAX >::ordinal ( Int1  l, Int2  m  )

inlinestatic

serialize()

template<typename T , MultipoleMomentsType Type = MultipoleMomentsType::undefined, int LMAX = -1>

template<typename Archive >

void mpqc::pbc::ma::MultipoleMoments< T, Type, LMAX >::serialize ( Archive &  ar )

inline

to_type()

template<typename T , MultipoleMomentsType Type = MultipoleMomentsType::undefined, int LMAX = -1>

template<MultipoleMomentsType NewType>

constexpr MultipoleMoments<T, NewType, LMAX> mpqc::pbc::ma::MultipoleMoments< T, Type, LMAX >::to_type ( ) const

inlineconstexpr

makes a copy of this with type converted to t

Parameters

[in]

t

a Type value

Returns

copy of this object with type assigned to t

type() [1/2]

template<typename T , MultipoleMomentsType Type = MultipoleMomentsType::undefined, int LMAX = -1>

constexpr mm_type mpqc::pbc::ma::MultipoleMoments< T, Type, LMAX >::type ( ) const

inlineconstexpr

type() [2/2]

template<typename T , MultipoleMomentsType Type = MultipoleMomentsType::undefined, int LMAX = -1>

MultipoleMoments& mpqc::pbc::ma::MultipoleMoments< T, Type, LMAX >::type ( mm_type  t )

inline

assigns type to t , or converts to type t if already has a defined type

Parameters

[in]

t

a Type value

Returns

reference to this object

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

• mpqc/chemistry/qc/lcao/scf/pbc/ma.h