#include "mpqc/chemistry/qc/lcao/factory/ao_factory.h"
#include "mpqc/chemistry/qc/lcao/integrals/integrals.h"
#include "mpqc/chemistry/qc/lcao/integrals/screening/schwarz.h"
#include "mpqc/chemistry/qc/lcao/mbpt/pno/sparse_maps.h"
#include "mpqc/chemistry/qc/lcao/mbpt/pno/types.h"
#include "mpqc/math/external/eigen/eigen.h"
#include "mpqc/math/external/tiledarray/array_info.h"
#include "mpqc/util/meta/make_array.h"
#include "mpqc/util/meta/make_vector.h"
#include <tiledarray.h>

Include dependency graph for fast_integral_builder.h:

This graph shows which files directly or indirectly include this file:

Namespaces
	mpqc
	The top-level namespace for all Massively Parallel Quantum Chemistry package.

	mpqc::lcao

	mpqc::lcao::pno

	mpqc::lcao::pno::detail

Functions
template<typename Tile , typename Policy >
auto	mpqc::lcao::pno::detail::compute_fast_E (gaussian::AOFactory< Tile, Policy > &aof, std::shared_ptr< gaussian::SchwarzScreen > const &screener, SparseMap const &IX, SparseMap const &IR, SparseMap const &RSao)

template<typename Tile , typename Policy >
auto	mpqc::lcao::pno::detail::get_schwarz_screener (gaussian::AOFactory< Tile, Policy > &aof, double tcutScreen)

SparseMap	mpqc::lcao::pno::detail::make_map_RS (gaussian::SchwarzScreen const &SS, double TCUTRS)

SparseMap	mpqc::lcao::pno::detail::unionize_for_IJ (SparseMap const &Iany, SparseMap const &IJ)

template<typename T >
SparseMap	mpqc::lcao::pno::detail::map_from_shape (TA::Tensor< T > mat_shape)

template<typename Tile , typename Policy >
SparseMap	mpqc::lcao::pno::detail::compute_IR (TA::DistArray< Tile, Policy > const &P, SparseMap const &IA, SparseMap const &IRlmo)

template<typename DirectArray , typename Tile , typename Policy >
TA::DistArray< Tile, Policy >	mpqc::lcao::pno::EToZir (DirectArray const &E, TA::DistArray< Tile, Policy > const &Ci, SparseMap const &IX, SparseMap const &IR)
	Screen the construction of (X \| i μ) using the maps IX and IR. More...

template<typename Tile , typename Policy >
void	mpqc::lcao::pno::ZirToZia (TA::DistArray< Tile, Policy > &Zir, TA::DistArray< Tile, Policy > const &P, SparseMap const &IX, SparseMap const &IA)
	Screen the construction of (X \| i a) using the sparse maps IX and IA. More...

template<typename Tile , typename Policy >
TA::DistArray< Tile, Policy >	mpqc::lcao::pno::Zia (gaussian::AOFactory< Tile, Policy > &aof, TA::DistArray< Tile, Policy > const &Ci, TA::DistArray< Tile, Policy > const &P, SparseMap const &IX, SparseMap const &IA, SparseMap const &IJ, bool fastE, bool fastZir, bool fastZia, double tcutRS, double tcutScreen, bool diagonalIJ=false)
	Function that take LMOs, the PAO projector and a AOFactory and will apply various screening of the three center (X \| i a) build. More...

Namespaces

Functions