scf_terms.hpp File Reference

#include <algorithm>
#include <array>
#include <memory>
#include <stdexcept>
#include <vector>
#include "layer_0_core/logging/init.hpp"
#include "layer_0_core/types/init.hpp"
#include "layer_0_core/types/matrix.hpp"
#include "layer_1_structure/crystal/crystal.hpp"
#include "layer_3_representation/pseudopotential/paw/init.hpp"
#include "layer_3_representation/pseudopotential/set.hpp"
#include "layer_4_computation/effective_potential/internal/exchange_correlation/init.hpp"
#include "layer_4_computation/paw/one_center/angular_grid.hpp"
#include "layer_4_computation/paw/one_center/convention/factory.hpp"
#include "layer_4_computation/paw/one_center/d_matrix.hpp"
#include "layer_4_computation/paw/one_center/densities.hpp"
#include "layer_4_computation/paw/one_center/energy.hpp"
#include "layer_4_computation/paw/one_center/gradient.hpp"

Go to the source code of this file.

Classes
struct	q3::paw_one_center::PawOneCenterTerms::BranchTotals
class	q3::paw_one_center::PawOneCenterTerms
struct	q3::paw_one_center::SpeciesOneCenterContext
	Everything reusable across SCF steps for one species. More...

Namespaces
namespace	q3
namespace	q3::paw_one_center

Functions
bool	q3::paw_one_center::channel_expansion_matches_projectors (const PawPseudopotential &pseudopotential)