#include <libint2/chemistry/sto3g_atomic_density.h>
#include "mpqc/chemistry/molecule/molecule.h"
#include "mpqc/chemistry/qc/lcao/basis/basis.h"
#include "mpqc/math/external/tiledarray/array_info.h"
#include "mpqc/math/external/tiledarray/tiledarray.h"
#include "mpqc/util/meta/make_array.h"
#include "mpqc/chemistry/qc/lcao/factory/utility.h"
#include "mpqc/chemistry/qc/lcao/integrals/bases_data.h"
#include "mpqc/chemistry/qc/lcao/integrals/direct_task_integrals.h"
#include "mpqc/chemistry/qc/lcao/integrals/task_integrals.h"
#include "mpqc/chemistry/qc/lcao/integrals/task_integrals_common.h"
#include "mpqc/math/external/eigen/eigen.h"
#include <memory>
#include <vector>

Include dependency graph for soad.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::gaussian

Functions
RowMatrixXd	mpqc::lcao::soad_density_eig_matrix (Molecule const &mol)

template<typename Engs , typename Tile , typename ComputeTile , typename Policy >
void	mpqc::lcao::gaussian::soad_task (Engs eng_pool, const std::array< int64_t, 2 > &tile_idx, const std::array< std::vector< libint2::Shell > const , 2 > &obs_row_and_col_ptrs, std::vector< libint2::Shell > const min_bs, const RowMatrixXd D, TA::DistArray< Tile, Policy > F, std::function< Tile(ComputeTile &&)> op, const std::array< shellpair_data_accessor_t, 3 > shellpair_data_accessors, const std::array< std::shared_ptr< ThresholdedScreener >, 2 > jk_screeners)

template<typename Tile , typename ComputeTile , typename Policy >
TA::DistArrayVector< Tile, typename std::enable_if< std::is_same< Policy, TA::SparsePolicy >::value, TA::SparsePolicy >::type >	mpqc::lcao::gaussian::fock_from_soad (madness::World &world, Molecule const &clustered_mol, Basis const &obs, Basis const &minbs, TA::DistArray< Tile, Policy > const &H, int const n_components, std::function< shellpair_data_accessor_t(const Basis bs0, const Basis bs1)> make_shellpair_data_accessor={}, std::function< Tile(ComputeTile &&)> op=TA::detail::Noop< Tile, ComputeTile, true >())

template<typename Tile , typename ComputeTile , typename Policy >
TA::DistArrayVector< Tile, typename std::enable_if< std::is_same< Policy, TA::DensePolicy >::value, TA::DensePolicy >::type >	mpqc::lcao::gaussian::fock_from_soad (madness::World &world, Molecule const &clustered_mol, Basis const &obs, Basis const &minbs, TA::DistArray< Tile, Policy > const &H, int const n_components, std::function< shellpair_data_accessor_t(const Basis bs0, const Basis bs1)> make_shellpair_data_accessor={}, std::function< Tile(ComputeTile &&)> op=TA::detail::Noop< Tile, ComputeTile, true >())

Namespaces

Functions