f12_intermediates.h File Reference
#include "mpqc/math/external/tiledarray/tiledarray.h"
#include "mpqc/chemistry/qc/lcao/factory/lcao_factory.h"
#include "mpqc/util/misc/string.h"
#include "mpqc/util/misc/time.h"
Include dependency graph for f12_intermediates.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::f12 | |
Functions | |
template<typename Tile > | |
TA::DistArray< Tile, TA::SparsePolicy > | mpqc::lcao::f12::compute_V_ijkl_df (LCAOFactory< Tile, TA::SparsePolicy > &lcao_factory, TA::SparseShape< float > &shape) |
template<typename Tile > | |
TA::DistArray< Tile, TA::SparsePolicy > | mpqc::lcao::f12::compute_V_ijkl (LCAOFactory< Tile, TA::SparsePolicy > &lcao_factory, TA::SparseShape< float > &shape) |
template<typename Tile > | |
TA::DistArray< Tile, TA::SparsePolicy > | mpqc::lcao::f12::compute_X_ijkl_df (LCAOFactory< Tile, TA::SparsePolicy > &lcao_factory, TA::SparseShape< float > &ijkl_shape) |
template<typename Tile > | |
TA::DistArray< Tile, TA::SparsePolicy > | mpqc::lcao::f12::compute_X_ijkl (LCAOFactory< Tile, TA::SparsePolicy > &lcao_factory, TA::SparseShape< float > &ijkl_shape) |
template<typename Tile > | |
TA::DistArray< Tile, TA::SparsePolicy > | mpqc::lcao::f12::compute_B_ijkl_C_df (LCAOFactory< Tile, TA::SparsePolicy > &lcao_factory, TA::SparseShape< float > &shape) |
template<typename Tile > | |
TA::DistArray< Tile, TA::SparsePolicy > | mpqc::lcao::f12::compute_B_ijkl_D_df (LCAOFactory< Tile, TA::SparsePolicy > &lcao_factory, TA::SparseShape< float > &shape) |
template<typename Tile > | |
TA::DistArray< Tile, TA::SparsePolicy > | mpqc::lcao::f12::compute_B_ijkl_C (LCAOFactory< Tile, TA::SparsePolicy > &lcao_factory, TA::SparseShape< float > &shape) |
template<typename Tile > | |
TA::DistArray< Tile, TA::SparsePolicy > | mpqc::lcao::f12::compute_B_ijkl_D (LCAOFactory< Tile, TA::SparsePolicy > &lcao_factory, TA::SparseShape< float > &shape) |
template<typename Tile , typename Policy > | |
TA::DistArray< Tile, Policy > | mpqc::lcao::f12::compute_V_iakl_df (LCAOFactory< Tile, Policy > &lcao_factory, bool use_cabs=true, bool pq=true) |
template<typename Tile , typename Policy > | |
TA::DistArray< Tile, Policy > | mpqc::lcao::f12::compute_V_iakl (LCAOFactory< Tile, Policy > &lcao_factory, bool use_cabs=true, bool pq=true) |
template<typename Tile , typename Policy > | |
TA::DistArray< Tile, Policy > | mpqc::lcao::f12::compute_V_ijab_df (LCAOFactory< Tile, Policy > &lcao_factory, bool use_cabs=true, bool reduced_memory=true) |
template<typename Tile , typename Policy > | |
TA::DistArray< Tile, Policy > | mpqc::lcao::f12::compute_V_ijab (LCAOFactory< Tile, Policy > &lcao_factory, bool use_cabs=true) |
template<typename Tile , typename Policy > | |
TA::DistArray< Tile, Policy > | mpqc::lcao::f12::compute_V_ijpq (LCAOFactory< Tile, Policy > &lcao_factory, bool use_cabs=true) |
template<typename Tile , typename Policy > | |
TA::DistArray< Tile, Policy > | mpqc::lcao::f12::compute_C_ijab_df (LCAOFactory< Tile, Policy > &lcao_factory) |
template<typename Tile , typename Policy > | |
TA::DistArray< Tile, Policy > | mpqc::lcao::f12::compute_C_ijab (LCAOFactory< Tile, Policy > &lcao_factory) |
template<typename Tile , typename DirectArray > | |
TA::DistArray< Tile, TA::SparsePolicy > | mpqc::lcao::f12::compute_VT2_ijkl_df_direct (LCAOFactory< Tile, TA::SparsePolicy > &lcao_factory, const TA::DistArray< Tile, TA::SparsePolicy > &t2, const TA::SparseShape< float > &shape, DirectArray direct_array, bool use_cabs=true) |
template<typename Tile > | |
TA::DistArray< Tile, TA::SparsePolicy > | mpqc::lcao::f12::compute_VT2_ijkl_df (LCAOFactory< Tile, TA::SparsePolicy > &lcao_factory, const TA::DistArray< Tile, TA::SparsePolicy > &t2, const TA::SparseShape< float > &shape, bool use_cabs=true, bool reduced_memory=true) |
template<typename Tile > | |
TA::DistArray< Tile, TA::SparsePolicy > | mpqc::lcao::f12::compute_VT2_ijkl (LCAOFactory< Tile, TA::SparsePolicy > &lcao_factory, const TA::DistArray< Tile, TA::SparsePolicy > &t2, const TA::SparseShape< float > &shape, bool use_cabs=true) |
template<typename Tile > | |
TA::DistArray< Tile, TA::SparsePolicy > | mpqc::lcao::f12::compute_VT1_ijkl_df (LCAOFactory< Tile, TA::SparsePolicy > &lcao_factory, const TA::DistArray< Tile, TA::SparsePolicy > &t1, const TA::SparseShape< float > &shape, bool use_cabs=true) |
template<typename Tile > | |
TA::DistArray< Tile, TA::SparsePolicy > | mpqc::lcao::f12::compute_VT1_ijkl (LCAOFactory< Tile, TA::SparsePolicy > &lcao_factory, const TA::DistArray< Tile, TA::SparsePolicy > &t1, const TA::SparseShape< float > &shape, bool use_cabs=true) |
template<typename Tile , typename Policy , typename String > | |
std::tuple< TA::DistArray< Tile, Policy >, TA::DistArray< Tile, Policy > > | mpqc::lcao::f12::VX_pqrs_pqsr (const std::string &target_str, LCAOFactory< Tile, Policy > &lcao_factory, const String &p, const String &q, const String &r, const String &s, bool df=true, bool cabs=true) |