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"
Include dependency graph for zorbital_localization.h:
This graph shows which files directly or indirectly include this file:
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 |