g_tiles_from_ldf.h File Reference
#include <atomic>
#include "mpqc/chemistry/qc/lcao/mbpt/pno/math_functions.h"
#include "mpqc/chemistry/qc/lcao/mbpt/pno/semi_canonicalize.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/util/core/exenv.h"
#include "mpqc/util/misc/time.h"
#include <tiledarray.h>
Include dependency graph for g_tiles_from_ldf.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 | |
SparseMap | mpqc::lcao::pno::detail::IJK_pao_unions (PNODataTile const &IJ, IdxMap< 2, PNODataTile > const &pairs, int I, int J, int nI, RowMatrixXd const &Fij_norms, double tcutFIJ) |
template<typename Tile , typename Policy > | |
std::pair< RowMatrixXd, std::vector< std::pair< int, int > > > | mpqc::lcao::pno::detail::pre_multiply_IJ (TA::DistArray< Tile, Policy > const &Spao, SparseMap const &IJK_pao_unions, PNODataTile const *IJ_pair) |
RowMatrixXd | mpqc::lcao::pno::detail::finish_S (std::pair< RowMatrixXd, std::vector< std::pair< int, int >>> const &tmpS_and_N_starts, PNODataTile const &KJ_pno) |
template<typename Tile , typename Policy > | |
IdxMap< 3, RowMatrixXd > | mpqc::lcao::pno::detail::pno_overlaps (IdxMap< 2, PNODataTile > &IJ_pairs, TA::DistArray< Tile, Policy > &Spao, TA::DistArray< Tile, Policy > const &Fij, double tcutFIJ, double flattened_pnos=false) |