TorsionAngleM6.h File Reference

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

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Classes
class	ForceFields::CrystalFF::TorsionAngleContribM6
	the torsion term for multiplicity m = 1 - 6 More...

Namespaces
namespace	RDGeom
namespace	ForceFields
namespace	ForceFields::CrystalFF

Functions
RDKIT_FORCEFIELDHELPERS_EXPORT double	ForceFields::CrystalFF::calcTorsionEnergyM6 (const std::vector< double > &V, const std::vector< int > &signs, const double cosPhi)
	calculates and returns the torsional energy