#include <iosfwd>
#include <memory>
#include <vector>
#include <libint2/basis.h>
#include <madness/world/array_addons.h>
#include "mpqc/math/external/tiledarray/tiledarray.h"
#include <TiledArray/util/vector.h>
#include "mpqc/util/misc/default_madworld.h"
#include "mpqc/util/keyval/keyval.h"
#include "mpqc/chemistry/molecule/molecule.h"
#include "mpqc/util/misc/observer.h"

Include dependency graph for basis.h:

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

Classes
class mpqc::lcao::gaussian::Basis

class mpqc::lcao::gaussian::Basis::Factory
Factory is a ctor helper. More...

class mpqc::lcao::gaussian::AtomicBasis

struct madness::archive::ArchiveSerializeImpl< Archive, libint2::Shell::Contraction >

struct madness::archive::ArchiveSerializeImpl< Archive, libint2::Shell >

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

mpqc::lcao

mpqc::lcao::gaussian

madness

madness::archive

Typedefs
using mpqc::lcao::gaussian::Shell = libint2::Shell

using mpqc::lcao::gaussian::ShellVec = std::vector< Shell >

Functions

std::shared_ptr< const Basis > mpqc::lcao::gaussian::merge (const Basis &basis1, const Basis &basis2)

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)

bool mpqc::lcao::gaussian::operator== (const Basis &one, const Basis &two)

template<typename Op , typename... Args>
Basis mpqc::lcao::gaussian::reblock (Basis const &basis, Op op, Args... args)
reblock allows for reblocking a basis More...

Eigen::RowVectorXi mpqc::lcao::gaussian::sub_basis_map (const Basis &basis, const Basis &sub_basis)

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)

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Classes

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Functions