cadf_coeffs.cpp File Reference

#include "cadf_coeffs.h"
#include <fstream>

Include dependency graph for cadf_coeffs.cpp:

Namespaces
	mpqc
	The top-level namespace for all Massively Parallel Quantum Chemistry package.
	mpqc::lcao
	mpqc::lcao::detail

Functions
std::shared_ptr< const gaussian::Basis >	mpqc::lcao::detail::by_center_basis (gaussian::Basis const &in)
void	mpqc::lcao::detail::print_shape (TA::Tensor< float > const &t, std::string const &file_name)
TA::TiledRange	mpqc::lcao::detail::cadf_trange (gaussian::Basis const &obs_by_atom, gaussian::Basis const &dfbs_by_atom)
TA::TiledRange	mpqc::lcao::detail::cadf_trange (gaussian::Basis const &bs0_by_atom, gaussian::Basis const &bs1_by_atom, gaussian::Basis const &dfbs_by_atom)
TA::SparseShape< float >	mpqc::lcao::detail::cadf_shape (madness::World &world, TA::TiledRange const &trange)
std::shared_ptr< gaussian::SchwarzScreen >	mpqc::lcao::detail::cadf_by_atom_screener (madness::World &world, gaussian::Basis const &obs, gaussian::Basis const &dfbs, double threshold)
	Function to compute the by atom (Schwarz) screener for CADF ERI3 (X | μ ν) More...
std::shared_ptr< gaussian::SchwarzScreen >	mpqc::lcao::detail::cadf_by_atom_screener (madness::World &world, gaussian::Basis const &bs0, gaussian::Basis const &bs1, gaussian::Basis const &dfbs, double threshold)
	Function to compute the by atom (Schwarz) screener for CADF ERI3 (X | μ ν) when μ and ν are different basis sets. More...