zorbital_localization.h File Reference
#include <array>
#include <iomanip>
#include <mpqc/chemistry/molecule/lattice/supercell.h>
#include <mpqc/chemistry/qc/lcao/factory/gaussian/periodic_ao_factory.h>
#include <mpqc/chemistry/qc/lcao/wfn/util.h>
#include <tiledarray_fwd.h>
#include "mpqc/math/external/eigen/eigen.h"
#include "mpqc/math/tensor/clr/array_to_eigen.h"
#include "mpqc/util/core/exception.h"
#include "mpqc/util/keyval/keyval.h"
#include "mpqc/util/misc/assert.h"
#include <unsupported/Eigen/MatrixFunctions>
#include "mpqc/math/complex.h"
#include "mpqc/math/external/eigen/random.h"
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Classes

class  mpqc::lcao::zOrbitalLocalizer< Tile, Policy, Mat >
 
struct  mpqc::lcao::pbc::detail::zOrbitalLocalizationGradient< Mat >
 Abstract periodic orbital gradient. More...
 
class  mpqc::lcao::pbc::detail::PMzOrbitalLocalizationGradient< Tile, Policy, Mat >
 Finds a stationary point of the PM objective function for periodic systems. More...
 
class  mpqc::lcao::pbc::NonLinearConjGradient< Tile, Policy, Gradient, Mat >
 Implements non-linear conjugate gradient for a given gradient expression. More...
 
class  mpqc::lcao::pbc::PMzLocalizer< Tile, Policy, Mat >
 Performs Pipek-Mezey localization. More...
 

Namespaces

 mpqc
 The top-level namespace for all Massively Parallel Quantum Chemistry package.
 
 mpqc::lcao
 
 mpqc::lcao::pbc
 import the gaussian::utility namespace into the pbc::gaussian namespace
 
 mpqc::lcao::pbc::detail
 

Typedefs

using mpqc::lcao::TileD = TA::TensorD