orbital_space.h File Reference
#include "mpqc/chemistry/qc/lcao/expression/fwd.h"
#include <memory>
#include "mpqc/chemistry/qc/lcao/basis/basis.h"
#include "mpqc/chemistry/qc/lcao/expression/operator.h"
#include "mpqc/chemistry/qc/lcao/expression/orbital_index.h"
#include "mpqc/math/groups/group.h"
#include "mpqc/util/core/exception.h"
Include dependency graph for orbital_space.h:
This graph shows which files directly or indirectly include this file:
Classes | |
class | mpqc::lcao::OrbitalSpace< Array > |
OrbitalSpace represents a set of LCAO. More... | |
class | mpqc::lcao::OrbitalSpace< Array >::Provider |
class | mpqc::lcao::DecoratedOrbitalSpace< Array, OrbitalAttribute, AttributeTag > |
an OrbitalSpace where each orbital in addition to irrep has additional attributes More... | |
class | mpqc::lcao::DecoratedOrbitalSpace< Array, OrbitalAttribute, AttributeTag >::Provider |
struct | mpqc::lcao::detail::AttributeTag< tag > |
Namespaces | |
mpqc | |
The top-level namespace for all Massively Parallel Quantum Chemistry package. | |
mpqc::lcao | |
mpqc::lcao::detail | |
Typedefs | |
using | mpqc::lcao::detail::CanonicalAttributeTag = AttributeTag< 0 > |
using | mpqc::lcao::detail::PopulatedAttributeTag = AttributeTag< 1 > |
template<typename Array > | |
using | mpqc::lcao::CanonicalOrbitalSpace = DecoratedOrbitalSpace< Array, double, detail::CanonicalAttributeTag > |
template<typename Array > | |
using | mpqc::lcao::PopulatedOrbitalSpace = DecoratedOrbitalSpace< Array, double, detail::PopulatedAttributeTag > |
Populated orbitals are decorated by occupancies, no order assumed. More... | |