dft_method.h File Reference

#include <ankerl/unordered_dense.h>
#include <nlohmann/json.hpp>
#include <occ/dft/functional.h>
#include <string>
#include <vector>

Include dependency graph for dft_method.h:

This graph shows which files directly or indirectly include this file:

Classes
struct	occ::dft::FuncComponent
struct	occ::dft::MethodDefinition
struct	occ::dft::DFTMethod

Namespaces
namespace	occ
namespace	occ::dft
	functionality related to Kohn-Sham density functional theory

Typedefs
using	occ::dft::dfid = DensityFunctional::Identifier

Functions
DFTMethod	occ::dft::get_dft_method (const std::string &method_string)
DFTMethod	occ::dft::create_dft_method_from_definition (const MethodDefinition &def, bool polarized=false)
ankerl::unordered_dense::map< std::string, MethodDefinition >	occ::dft::load_method_definitions (const std::string &filename)
void	occ::dft::export_method_definitions (const std::string &filename, const ankerl::unordered_dense::map< std::string, MethodDefinition > &definitions)
void	to_json (nlohmann::json &j, const occ::dft::FuncComponent &fc)
void	from_json (const nlohmann::json &j, occ::dft::FuncComponent &fc)
void	to_json (nlohmann::json &j, const occ::dft::MethodDefinition &def)
void	from_json (const nlohmann::json &j, occ::dft::MethodDefinition &def)

Function Documentation

from_json() [1/2]

void from_json	(	const nlohmann::json &	j,
		occ::dft::FuncComponent &	fc
	)

from_json() [2/2]

void from_json	(	const nlohmann::json &	j,
		occ::dft::MethodDefinition &	def
	)

to_json() [1/2]

void to_json	(	nlohmann::json &	j,
		const occ::dft::FuncComponent &	fc
	)

to_json() [2/2]

void to_json	(	nlohmann::json &	j,
		const occ::dft::MethodDefinition &	def
	)