capture.hpp File Reference

#include <array>
#include <memory>
#include <stdexcept>
#include <string>
#include "layer_0_core/logging/init.hpp"
#include "layer_0_core/types/constants.hpp"
#include "layer_0_core/types/init.hpp"
#include "layer_1_structure/crystal/crystal.hpp"
#include "layer_3_representation/basis/planewave/local_orbital/factory.hpp"
#include "layer_3_representation/basis/planewave/local_orbital/init.hpp"
#include "layer_3_representation/quantum_system/kohn_sham/planewave/ultrasoft/init.hpp"
#include "layer_4_computation/interpolator/input_data/record.hpp"
#include "layer_4_computation/interpolator/input_data/specification.hpp"
#include "layer_4_computation/interpolator/method/wannier/inputs.hpp"
#include "layer_4_computation/interpolator/method/wannier/planewave/init.hpp"
#include "layer_4_computation/iterator/kohn_sham/planewave/pseudopotential/init.hpp"

Go to the source code of this file.

Namespaces
namespace	q3
namespace	q3::internal

Functions
WannierInputs	q3::internal::build_wannier_interface_record (const InterpolationSpecification &specification, PlanewavePseudopotentialKohnShamSCFIterator &iterator, int number_of_bands)
	The Wannier method's record: interface matrices on the full k-grid.
InterpolationRecord	q3::capture_interpolation_record (const InterpolationSpecification &specification, PlanewavePseudopotentialKohnShamSCFIterator &iterator, int number_of_bands)
void	q3::internal::record_lattice (const Crystal &crystal_structure, InterpolationRecord &record)
	The crystal's lattice in the record's units: Cartesian bohr, and inverse bohr with the 2 pi.