basis.cpp File Reference

#include "mpqc/chemistry/molecule/common.h"
#include "mpqc/chemistry/molecule/molecule.h"
#include "mpqc/chemistry/qc/lcao/basis/basis.h"
#include "mpqc/chemistry/qc/lcao/basis/shell_vec_functions.h"
#include "mpqc/util/core/exception.h"
#include "mpqc/util/core/exenv.h"
#include "mpqc/util/core/formio.h"
#include "mpqc/util/keyval/forcelink.h"
#include "mpqc/util/misc/assert.h"
#include "mpqc/util/misc/default_madworld.h"

Include dependency graph for basis.cpp:

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

Functions
	MPQC_CLASS_EXPORT2 ("Basis", mpqc::lcao::gaussian::AtomicBasis)
bool	mpqc::lcao::gaussian::detail::equal (const std::array< double, 3 > &arr3, const Eigen::Vector3d &vec3)
std::ostream &	mpqc::lcao::gaussian::operator<< (std::ostream &os, Basis::Factory const &f)
std::ostream &	mpqc::lcao::gaussian::operator<< (std::ostream &os, Basis const &b)
Eigen::RowVectorXi	mpqc::lcao::gaussian::sub_basis_map (const Basis &basis, const Basis &sub_basis)
std::shared_ptr< const Basis >	mpqc::lcao::gaussian::merge (const Basis &basis1, const Basis &basis2)
Basis	mpqc::lcao::gaussian::parallel_make_basis (madness::World &world, const Basis::Factory &factory, const mpqc::Molecule &mol)
std::ostream &	mpqc::lcao::gaussian::operator<< (std::ostream &os, AtomicBasis const &b)

Function Documentation

MPQC_CLASS_EXPORT2()

MPQC_CLASS_EXPORT2	(	"Basis"	,
		mpqc::lcao::gaussian::AtomicBasis
	)