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:
This graph shows which files directly or indirectly include this file:
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) |