smd_xtb.h File Reference

#include <occ/core/linear_algebra.h>
#include <occ/scrf/reaction_field.h>
#include <occ/solvent/smd_parameters.h>
#include <occ/solvent/surface.h>
#include <occ/xtb/solvation_interface.h>
#include <string>

Include dependency graph for smd_xtb.h:

Classes
class	occ::xtb::SmdSolvationModel
	SMD ("Solvation Model based on Density") for GFN-xTB. More...

Namespaces
namespace	occ
namespace	occ::xtb