orbital_localization.h File Reference

#include "mpqc/chemistry/qc/lcao/scf/fwd.h"
#include <mpqc/util/keyval/keyval.h>
#include "mpqc/math/external/tiledarray/tiledarray.h"
#include "mpqc/math/external/tiledarray/dist_array_vector.h"
#include <memory>
#include "mpqc/chemistry/qc/lcao/scf/orbital_localization.ipp"

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Classes
class	mpqc::lcao::OrbitalLocalizer< Tile, Policy >
	Localizes orbitals using LCAO-specific info (e.g. AO-basis operators) More...

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

Macros
#define	MPQC_LCAO_MAKE_DEVICE_LOCALIZER(F)
#define	MPQC_LCAO_MAKE_LOCALIZER(F)

Macro Definition Documentation

MPQC_LCAO_MAKE_DEVICE_LOCALIZER

#define MPQC_LCAO_MAKE_DEVICE_LOCALIZER

(

F

)

MPQC_LCAO_MAKE_LOCALIZER

#define MPQC_LCAO_MAKE_LOCALIZER

(

F

)

Value:

  template <typename Tile, typename Policy>                                     \
  std::unique_ptr< OrbitalLocalizer<Tile,Policy> > F(const KeyVal&);            \
  extern template                                                               \
  std::unique_ptr< OrbitalLocalizer<> > F(const KeyVal&);                       \
  MPQC_LCAO_MAKE_DEVICE_LOCALIZER(F);