parameters.h File Reference

#include <ankerl/unordered_dense.h>
#include <occ/io/solvent_json.h>
#include <occ/solvent/smd_parameters.h>
#include <string>

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Namespaces
namespace	occ
namespace	occ::solvent
	solvation models for correction of QM methods (implicit only for now)

Functions
double	occ::solvent::get_dielectric (const std::string &name)
SMDSolventParameters	occ::solvent::get_smd_parameters (const std::string &name)
void	occ::solvent::list_available_solvents ()
nlohmann::json	occ::solvent::load_draco_parameters ()