als.h File Reference
#include <algorithm>
#include <cstdlib>
#include <iostream>
#include <vector>
#include <TiledArray/config.h>
#include <TiledArray/conversions/btas.h>
#include <TiledArray/external/btas.h>
#include <TiledArray/tiled_range.h>
#include <btas/generic/contract.h>
#include <btas/generic/coupled_cp_als.h>
#include <btas/generic/cp_als.h>
#include <btas/generic/cp_df_als.h>
#include <btas/generic/cp_rals.h>
Include dependency graph for als.h:
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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::set_norm (T &t, double norm)
 
template<typename Tensor >
void mpqc::math::detail::set_norm (btas::FitCheck< Tensor > &t, double norm)
 
template<typename Tensor >
void mpqc::math::detail::set_norm (btas::CoupledFitCheck< Tensor > &t, double normL, double normT)
 
template<typename Array , class conv_class >
Array mpqc::math::cp_als_rank (const Array &reference, std::vector< Array > &factor_matrices, std::vector< size_t > &symmetries, conv_class &conv, int block_size=1, int rank=0, double max_ALS=5e3, bool fast_pI=true, bool direct=true, bool recompose=false)
 
template<typename Array , class conv_class >
Array mpqc::math::cp_rals_rank (const Array &reference, std::vector< Array > &factor_matrices, std::vector< size_t > symmetries, conv_class &conv, int block_size=1, int rank=0, double max_ALS=5e3, bool fast_pI=true, bool direct=true, bool recompose=false)
 
template<typename Array , class conv_class >
void mpqc::math::cp_df_als_rank (const Array &referenceL, const Array &referenceR, const Array &ref_full, std::vector< Array > &factor_matrices, conv_class &conv, std::vector< size_t > &symm, int block_size=1, int rank=0, double max_ALS=5e3, bool fast_pI=true)
 
template<typename Array >
void mpqc::math::coupled_cp_als (const Array &referenceL, const Array &referenceR, std::vector< Array > &factor_matrices, int block_size=1, int rank=0, double max_ALS=5e3, double tcutALS=5e-3, int SVD_initial_guess=false, int SVD_rank=0, int step=1)
 
template<typename Array >
void mpqc::math::cp_exchange_formation (const Array &referenceL, const Array &referenceR, std::vector< Array > &factor_matrices, int block_size=1, int rank=0, double max_ALS=5e3, double tcutALS=1e-2, bool fast_pI=true)
 
template<typename Array >
void mpqc::math::cp_decomp_for_LT_T (const Array &Xab, const Array &Xai, std::vector< Array > &factor_matrices, int block_size=1, int rank=0, double max_ALS=5e3, double tcutALS=1e-2, bool fast_pI=true)