#include <algorithm>#include <cmath>#include <cstdint>#include <filesystem>#include <limits>#include <memory>#include <optional>#include <stdexcept>#include <string>#include <system_error>#include <unordered_map>#include <vector>#include "io/charge_density/kohn_sham/planewave/checkpoint/factory.hpp"#include "io/logger.hpp"#include "io/quantum_system/kohn_sham/planewave/checkpoint/q3.hpp"#include "io/wavefunction/kohn_sham/planewave/checkpoint/factory.hpp"#include "io/wavefunction/kohn_sham/planewave/checkpoint/qe_reader.hpp"#include "layer_0_core/math/linear_algebra/blas.hpp"#include "layer_0_core/math/phase_factor.hpp"#include "layer_0_core/math/tolerances.hpp"#include "layer_0_core/types/constants.hpp"#include "layer_3_representation/pseudopotential/planewave/internal/atomic_orbital_builder.hpp"#include "layer_3_representation/pseudopotential/planewave/internal/lowdin_orthogonalization.hpp"#include "layer_3_representation/pseudopotential/planewave/internal/wavefunction_atomic.hpp"#include "layer_3_representation/quantum_system/kohn_sham/planewave/norm_conserving/factory.hpp"#include "layer_3_representation/wavefunction/planewave/norm_conserving/initializer.hpp"#include "layer_4_computation/diagonalizer/planewave/internal/hamiltonian_applicator/planewave_potential_utils.hpp"#include "layer_4_computation/diagonalizer/planewave/internal/overlap/pseudopotential/factory.hpp"#include "layer_4_computation/effective_potential/internal/dispersion/factory.hpp"#include "layer_4_computation/effective_potential/internal/hubbard/hubbard.hpp"#include "layer_4_computation/effective_potential/internal/hubbard/occupation_mixer.hpp"#include "layer_4_computation/effective_potential/internal/hubbard/seeding.hpp"#include "layer_4_computation/effective_potential/internal/hubbard/symmetrization.hpp"#include "layer_4_computation/effective_potential/planewave/pseudopotential/init.hpp"#include "layer_4_computation/iterator/kohn_sham/planewave/init.hpp"#include "layer_4_computation/state/internal/energies/kohn_sham/planewave/norm_conserving/init.hpp"#include "layer_4_computation/state/kohn_sham/planewave/norm_conserving/init.hpp"Go to the source code of this file.
Classes | |
| class | q3::PlanewavePseudopotentialKohnShamSCFIterator |
Namespaces | |
| namespace | q3 |
1.9.8