#include "mpqc/chemistry/molecule/cluster_collapse.h"
#include "mpqc/chemistry/molecule/molecule.h"
#include "mpqc/chemistry/qc/lcao/basis/basis.h"
#include "mpqc/chemistry/qc/lcao/integrals/f12_utility.h"
#include "mpqc/chemistry/qc/lcao/integrals/task_integrals_common.h"
#include <initializer_list>
#include <iostream>
#include <libint2/engine.h>

Include dependency graph for make_engine.h:

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

	mpqc::lcao

	mpqc::lcao::gaussian

Typedefs
using	mpqc::lcao::gaussian::q_vector = std::vector< std::pair< double, std::array< double, 3 > >>

Functions
template<typename Bases >
libint2::Engine	mpqc::lcao::gaussian::make_engine (const libint2::Operator &oper, Bases &&bases, libint2::BraKet braket=libint2::BraKet::invalid, libint2::any oper_params=libint2::any(), double engine_precision=std::numeric_limits< double >::epsilon(), const libint2::scalar_type &scalar=libint2::scalar_type(1.0))

q_vector	mpqc::lcao::gaussian::make_q (Molecule const &mol)

template<typename Bases >
ShrPool< libint2::Engine >	mpqc::lcao::gaussian::make_engine_pool (const libint2::Operator &oper, Bases &&bases, libint2::BraKet braket=libint2::BraKet::invalid, libint2::any oper_params=libint2::any(), const libint2::scalar_type &scalar=libint2::scalar_type(1.0), double engine_precision=std::numeric_limits< double >::epsilon())
	Make an pool of Engine objects. More...

Namespaces

Typedefs

Functions