cosmo.h File Reference

#include <occ/core/linear_algebra.h>

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Classes
class	occ::solvent::COSMO
struct	occ::solvent::COSMO::Result

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

Typedefs
using	occ::solvent::Mat
using	occ::solvent::Mat3N
using	occ::solvent::Vec

Functions
occ::Vec	occ::solvent::cosmo::solvation_radii (const occ::IVec &)