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schwarz.h File Reference
#include <functional>#include <stdexcept>#include <boost/container/flat_map.hpp>#include "mpqc/chemistry/qc/lcao/integrals/screening/screen_base.h"#include "mpqc/chemistry/qc/lcao/integrals/task_integrals_common.h"#include "mpqc/math/groups/petite_list.h"#include "mpqc/util/core/exception.h"#include "mpqc/util/misc/assert.h"#include "mpqc/math/external/tiledarray/tiledarray.h"
Include dependency graph for schwarz.h:
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Classes | |
| class mpqc::lcao::gaussian::Q2Matrix | |
| Class which holds shell set information for screening. More... | |
| class mpqc::lcao::gaussian::SchwarzScreen | |
| Class for Schwarz based screening. More... | |
Namespaces | |
| mpqc | |
| The top-level namespace for all Massively Parallel Quantum Chemistry package. | |
| mpqc::lcao | |
| mpqc::lcao::gaussian | |
| mpqc::lcao::gaussian::detail | |
Functions | |
| double mpqc::lcao::gaussian::detail::l2_norm (Eigen::Map< const RowMatrixXd > const &map) | |
| double mpqc::lcao::gaussian::detail::inf_norm (Eigen::Map< const RowMatrixXd > const &map) | |
| bool mpqc::lcao::gaussian::operator== (const Q2Matrix &first, const Q2Matrix &second) | |
| template<typename E , typename Bases > | |
| SchwarzScreen mpqc::lcao::gaussian::create_schwarz_screener (madness::World &world, ShrPool< E > const &eng, Bases &&bs_array, double thresh, SchwarzScreen::norm_op_type norm_func=detail::l2_norm) | |
| Creates a Schwarz Screener. More... | |
| std::unique_ptr< SchwarzScreen > mpqc::lcao::gaussian::make_schwarz_screener (std::tuple< const Basis & > bra, std::tuple< const Basis &, const Basis & > ket, double threshold) | |
