loader.hpp File Reference

#include <filesystem>
#include <stdexcept>
#include <string>
#include <vector>
#include "io/logger.hpp"
#include "io/pseudopotential/factory.hpp"
#include "io/pseudopotential/functional_label.hpp"
#include "layer_1_structure/crystal/atom_species.hpp"
#include "layer_3_representation/pseudopotential/set.hpp"

Go to the source code of this file.

Namespaces
namespace	q3

Functions
int	q3::dataset_index_within_file (const std::vector< AtomSpecies > &species, int species_index, const std::string &pseudopotential_directory)
std::string	q3::functional_from_pseudopotentials (const std::vector< AtomSpecies > &species, const std::string &pseudopotential_directory)
PseudopotentialSet	q3::load_pseudopotentials (std::vector< AtomSpecies > &species, const std::string &pseudopotential_directory)
std::string	q3::resolve_pseudopotential_path (const std::string &pseudopotential_file, const std::string &pseudopotential_directory)