dbmp2.h File Reference
#include "mpqc/chemistry/qc/lcao/mbpt/mp2.h"
#include "mpqc/mpqc_config.h"
#include "mpqc/chemistry/qc/lcao/mbpt/dbmp2.ipp"
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Classes

struct  mpqc::lcao::detail::ScfCorrection< Tile >
 
class  mpqc::lcao::DBRMP2< Tile, Policy >
 Dual basis MP2 method for closed shell system. More...
 
class  mpqc::lcao::DFDBRMP2< Tile, Policy >
 

Namespaces

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

Functions

template<typename Tile , typename Policy >
std::shared_ptr<::mpqc::utility::TRange1Enginempqc::lcao::detail::closed_shell_dual_basis_mo_build_steele (lcao::LCAOFactory< Tile, Policy > &lcao_factory, Eigen::VectorXd &ens, const Molecule &mols, bool frozen_core, std::size_t occ_blocksize, std::size_t vir_blocksize)