#include <occ/core/linear_algebra.h>
#include <occ/solvent/smd_parameters.h>

Include dependency graph for draco.h:

Namespaces
namespace	occ

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

namespace	occ::solvent::draco

Functions
Vec	occ::solvent::draco::coordination_numbers (const IVec &nums, const Mat3N &pos_bohr)

Vec	occ::solvent::draco::smd_coulomb_radii (const Vec &charges, const IVec &nums, const Mat3N &pos_bohr, const SMDSolventParameters &)

Namespaces

Functions