sqvl.h File Reference
#include "mpqc/util/misc/assert.h"
#include "mpqc/chemistry/qc/lcao/integrals/bases_data.h"
#include "mpqc/chemistry/qc/lcao/integrals/screening/schwarz.h"
#include "mpqc/chemistry/qc/lcao/integrals/screening/screen_base.h"
#include "mpqc/chemistry/qc/lcao/integrals/task_integrals_common.h"
#include <boost/math/special_functions/erf.hpp>
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Classes | |
class | mpqc::lcao::gaussian::SQVlScreen |
Implements SQVlScreen screener for shell-sets of (0|12) integrals. More... | |
Namespaces | |
mpqc | |
The top-level namespace for all Massively Parallel Quantum Chemistry package. | |
mpqc::lcao | |
mpqc::lcao::gaussian | |
Functions | |
template<typename E , typename Bases > | |
SQVlScreen | mpqc::lcao::gaussian::create_sqvl_screener (madness::World &world, const ShrPool< E > &engs, Bases &&bases, double threshold, SchwarzScreen::norm_op_type norm_func=detail::l2_norm) |