dbmp2.ipp File Reference
#include "mpqc/chemistry/qc/lcao/mbpt/dbmp2.h"
#include "mpqc/chemistry/qc/lcao/mbpt/fwd.h"
#include "mpqc/chemistry/qc/lcao/integrals/direct_tile.h"
#include "mpqc/chemistry/qc/lcao/wfn/lcao_wfn.h"
#include "mpqc/math/tensor/clr/array_to_eigen.h"
#include "mpqc/util/misc/time.h"
#include <memory>
#include <utility>
Include dependency graph for dbmp2.ipp:
This graph shows which files directly or indirectly include this file:
Namespaces | |
mpqc | |
The top-level namespace for all Massively Parallel Quantum Chemistry package. | |
mpqc::lcao | |
mpqc::lcao::detail | |
Macros | |
#define | MPQC4_SRC_MPQC_CHEMISTRY_QC_MBPT_DBMP2_IPP_ |
Functions | |
template<typename Tile , typename Policy > | |
std::shared_ptr<::mpqc::utility::TRange1Engine > | mpqc::lcao::detail::closed_shell_dual_basis_mo_build_steele (LCAOFactory< Tile, Policy > &lcao_factory, Eigen::VectorXd &ens, std::size_t nocc, const Molecule &mols, bool frozen_core, std::size_t occ_blocksize, std::size_t vir_blocksize) |
Macro Definition Documentation
◆ MPQC4_SRC_MPQC_CHEMISTRY_QC_MBPT_DBMP2_IPP_
#define MPQC4_SRC_MPQC_CHEMISTRY_QC_MBPT_DBMP2_IPP_ |