df.h File Reference
#include <btas/btas.h>
#include <mpqc/math/linalg/diagonal_array.h>
#include <mpqc/math/tensor/cp/als.h>
#include <mpqc/math/tensor/cp/cp3.h>
#include <mpqc/util/core/exenv.h>
#include <tiledarray.h>
#include <tuple>
#include <vector>
Include dependency graph for df.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::math | |
mpqc::math::detail | |
Functions | |
template<typename T > | |
void | mpqc::math::detail::verbose (T &t, bool verb) |
template<typename Tensor > | |
void | mpqc::math::detail::verbose (btas::FitCheck< Tensor > &t, bool verb) |
template<typename Tile , typename Policy > | |
std::tuple< std::vector< TiledArray::DistArray< Tile, Policy > >, std::vector< TiledArray::DistArray< Tile, Policy > >, std::vector< TiledArray::DistArray< Tile, Policy > > > | mpqc::math::compute_cp3_df_int_decomp (const TA::DistArray< Tile, Policy > &Xab, double rank_block_factor, int unocc_block_size, size_t cp_rank, double cp_precision, const TA::DistArray< Tile, Policy > &Had_reblock_matrix=TA::DistArray< Tile, Policy >(), bool cp_ps=false, bool cp_robust=false, bool verbose=false, bool ta_cp3=false, const TA::DistArray< Tile, Policy > &Xai=TA::DistArray< Tile, Policy >()) |
template<typename integral , typename Tile , typename Policy > | |
void | mpqc::math::generate_cc_cp3_decomp (integral &ints, int had_block_size_, double cp3_rank_, bool reduced_abcd_memory_, double rank_block_factor_, int vir_block_size, double cp3_precision_, bool ta_als_) |
template<typename integral , typename TArray , typename Tile , typename Policy > | |
void | mpqc::math::generate_cc_cp4_decomp (integral &ints, TArray Xma, TArray Cma, TArray Cmi, int had_block_size_, double cp3_rank_, double cp4_rank_, double rank_block_factor_, int vir_block_size, double cp3_precision_, double cp4_precision_) |