laplace_mp2.h File Reference
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Classes

class  mpqc::lcao::RLaplaceMP2< Tile, Policy >
 Laplace MP2 class for closed-shell system. 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::evaluate_energy (lcao::LCAOFactory< Tile, Policy > &lcao_factory, gaussian::AOFactory< Tile, Policy > &ao_factory, std::shared_ptr< Eigen::VectorXd > orbital_energy, const TA::DistArray< Tile, Policy > &U, std::shared_ptr< OrbitalLocalizer< Tile, Policy >> localizer, int num_laplace_points, bool cluster_coeffs)