mp2.h File Reference
#include "mpqc/chemistry/qc/lcao/mbpt/fwd.h"
#include <memory>
#include "mpqc/chemistry/qc/lcao/wfn/lcao_wfn.h"
#include "mpqc/chemistry/qc/lcao/expression/trange1_engine.h"
#include "mpqc/chemistry/qc/lcao/factory/fwd.h"
#include "mpqc/chemistry/qc/properties/energy.h"
#include "mpqc/chemistry/qc/lcao/mbpt/mp2.ipp"
Include dependency graph for mp2.h:
This graph shows which files directly or indirectly include this file:
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) |