Nonbonded.h File Reference

#include <RDGeneral/export.h>
#include <ForceField/Contrib.h>

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Classes
class	ForceFields::UFF::vdWContrib
	the van der Waals term for the Universal Force Field More...

Namespaces
namespace	ForceFields
namespace	ForceFields::UFF
namespace	ForceFields::UFF::Utils

Functions
RDKIT_FORCEFIELD_EXPORT double	ForceFields::UFF::Utils::calcNonbondedMinimum (const AtomicParams *at1Params, const AtomicParams *at2Params)
	calculates and returns the UFF minimum position for a vdW contact
RDKIT_FORCEFIELD_EXPORT double	ForceFields::UFF::Utils::calcNonbondedDepth (const AtomicParams *at1Params, const AtomicParams *at2Params)
	calculates and returns the UFF well depth for a vdW contact