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>
Include dependency graph for ma.h:
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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 |