ma.h File Reference
#include "mpqc/chemistry/qc/lcao/scf/decomposed_rij.h"
#include "mpqc/chemistry/qc/lcao/scf/pbc/two_center_builder.h"
#include "mpqc/chemistry/qc/lcao/factory/gaussian/periodic_ao_factory.ipp"
#include "mpqc/chemistry/qc/lcao/factory/periodic_ao_factory.h"
#include "mpqc/chemistry/qc/lcao/factory/util.h"
#include "TiledArray/util/vector.h"
#include "mpqc/util/meta/make_svector.h"
#include <libint2/shgshell_ordering.h>
#include <boost/math/special_functions/factorials.hpp>
#include <boost/math/special_functions/legendre.hpp>
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Classes

class  mpqc::pbc::detail::BasisPairInfo
 Class to hold information for basis shell pairs, including total number of shell pairs, extents (radii) and centers of shell pairs, etc. More...
 
class  mpqc::pbc::ma::MultipoleMoments< T, Type, LMAX >
 Spherical multipole moments. More...
 
struct  mpqc::pbc::ma::rebind< MultipoleMoments< Source, Type, LMAX >, Target >
 
struct  mpqc::pbc::ma::rebind< std::array< Source, Size >, Target >
 
struct  mpqc::pbc::ma::is_multipole_moments< T, Enabler >
 
struct  mpqc::pbc::ma::is_multipole_moments< MultipoleMoments< T, Type, LMAX > >
 
class  mpqc::pbc::ma::MA_CFFLatticeSum< Factory >
 This class computes the contribution to the Coulomb lattice sum from unit cells in Crystal Far Field (CFF) using multipole approximation. More...
 
struct  mpqc::pbc::ma::MA_CFFLatticeSum< Factory >::LMPair
 
struct  mpqc::pbc::ma::MA_CFFLatticeSum< Factory >::MSet< L, T >
 container of values for each m for a given L More...
 

Namespaces

 mpqc
 The top-level namespace for all Massively Parallel Quantum Chemistry package.
 
 mpqc::pbc
 
 mpqc::pbc::detail
 
 mpqc::pbc::ma
 

Typedefs

template<typename MM , typename Target >
using mpqc::pbc::ma::rebind_t = typename rebind< MM, Target >::type
 

Enumerations

enum  mpqc::pbc::ma::MultipoleMomentsType {
  mpqc::pbc::ma::MultipoleMomentsType::undefined, mpqc::pbc::ma::MultipoleMomentsType::o, mpqc::pbc::ma::MultipoleMomentsType::o_plus, mpqc::pbc::ma::MultipoleMomentsType::o_minus,
  mpqc::pbc::ma::MultipoleMomentsType::o_plusminus
}
 supported types of spherical multipole moments More...
 

Functions

constexpr int mpqc::pbc::ma::number_of_multipoles (int lmax)
 
template<typename T , MultipoleMomentsType Type, int LMAX>
constexpr MultipoleMoments< T, Type, LMAX > mpqc::pbc::ma::operator+ (const MultipoleMoments< T, Type, LMAX > &a, const MultipoleMoments< T, Type, LMAX > &b)
 
template<typename T , MultipoleMomentsType Type, int LMAX>
constexpr MultipoleMoments< T, Type, LMAX > mpqc::pbc::ma::operator- (const MultipoleMoments< T, Type, LMAX > &a, const MultipoleMoments< T, Type, LMAX > &b)
 
template<typename Range >
void mpqc::pbc::ma::print_multipole_moments (std::ostream &os, const Range &moments, const std::string &prefix="")
 

Variables

template<typename T >
constexpr const bool mpqc::pbc::ma::is_multipole_moments_v = is_multipole_moments<T>::value