TorsionAngleM6.h File Reference

#include <ForceField/Contrib.h>
#include <boost/tuple/tuple.hpp>
#include <vector>

Go to the source code of this file.

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

Namespaces
	RDGeom
	ForceFields
	ForceFields::CrystalFF

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