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interaction_json.h File Reference
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.