mp2.h File Reference
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Classes

struct  mpqc::lcao::detail::Mp2Energy< Tile >
 
struct  mpqc::lcao::detail::Mp2Amp< Tile >
 
class  mpqc::lcao::RMP2< Tile, Policy >
 MP2 class for closed-shell system. More...
 
class  mpqc::lcao::DFRMP2< Tile, Policy >
 MP2 class for closed-shell system with density fitting. More...
 

Namespaces

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

Functions

template<typename Tile , typename Policy >
double mpqc::lcao::detail::compute_mp2 (LCAOFactory< Tile, Policy > &lcao_factory, const std::shared_ptr< const Eigen::VectorXd > &orbital_energy, const std::shared_ptr< const ::mpqc::utility::TRange1Engine > &tr1_engine, bool df)