#include "mpqc/chemistry/qc/lcao/scf/fwd.h"
#include "mpqc/chemistry/qc/lcao/wfn/fwd.h"
#include "mpqc/chemistry/qc/lcao/factory/gaussian/ao_factory.h"
#include "mpqc/chemistry/qc/lcao/factory/lcao_factory.h"
#include "mpqc/chemistry/qc/lcao/wfn/wfn.h"
#include "mpqc/util/keyval/keyval.h"
#include "mpqc/chemistry/qc/lcao/wfn/lcao_wfn.ipp"

Include dependency graph for lcao_wfn.h:

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Classes
class	mpqc::lcao::LCAOWavefunction< Tile, Policy >
	LCAOWavefunction is a Wavefunction with an LCAOFactory. More...

Namespaces
	mpqc
	The top-level namespace for all Massively Parallel Quantum Chemistry package.

	mpqc::lcao

Functions
template<typename Tile = MPQC_DEFAULT_REAL_TA_TILE_CLASS, typename Policy = MPQC_DEFAULT_TA_POLICY_CLASS>
void	mpqc::lcao::populate_subspaces_from_closed_shell_sdref (std::shared_ptr< lcao::Wavefunction > ref_wfn, double target_ref_precision, std::size_t ndocc, std::size_t n_frozen_core, std::size_t n_frozen_uocc, std::size_t occ_blksize, std::size_t uocc_blksize, std::shared_ptr< OrbitalLocalizer< Tile, Policy >> localizer, bool cluster_occupied_orbitals=true)
	static methods for populating orbital spaces ///////////////////////////// More...

Classes

Namespaces

Functions