orbital_space.h File Reference
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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...