interaction_json.h File Reference

#include <nlohmann/json.hpp>
#include <occ/interaction/pairinteraction.h>
#include <occ/interaction/lattice_energy.h>
#include <occ/interaction/polarization_partitioning.h>
#include <occ/crystal/crystal.h>

Include dependency graph for interaction_json.h:

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

Classes
struct	occ::interaction::ElatResults

Namespaces
namespace	occ
namespace	occ::interaction
	interactions energies including CrystalExplorer model energies

Functions
void	occ::interaction::to_json (nlohmann::json &j, const CEEnergyComponents &)
void	occ::interaction::from_json (const nlohmann::json &j, CEEnergyComponents &)
void	occ::interaction::to_json (nlohmann::json &j, const polarization_partitioning::CouplingTerm &)
void	occ::interaction::from_json (const nlohmann::json &j, polarization_partitioning::CouplingTerm &)
void	occ::interaction::to_json (nlohmann::json &j, const polarization_partitioning::MoleculeCouplingResults &)
void	occ::interaction::from_json (const nlohmann::json &j, polarization_partitioning::MoleculeCouplingResults &)
void	occ::interaction::write_elat_json (const std::string &filename, const ElatResults &results)
	Write elat JSON results in compact format.
ElatResults	occ::interaction::read_elat_json (const std::string &filename)
	Read elat JSON results and reconstruct data structures.