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

Include dependency graph for parameters.h:

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Namespaces
namespace	occ

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

Functions
std::string	occ::solvent::solvent_data_path ()
	Directory holding the shipped solvent data, `$OCC_DATA_PATH/solvent`, falling back to the working directory.

void	occ::solvent::override_data_path_directory (const std::string &)

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 ()

Namespaces

Functions