UFF/AngleBend.h File Reference

#include <ForceField/Contrib.h>
#include <Geometry/point.h>

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Classes
class	ForceFields::UFF::AngleBendContrib
	The angle-bend term for the Universal Force Field. More...

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

Functions
double	ForceFields::UFF::Utils::calcAngleForceConstant (double theta0, double bondOrder12, double bondOrder23, const AtomicParams *at1Params, const AtomicParams *at2Params, const AtomicParams *at3Params)
	Calculate the force constant for an angle bend. More...
void	ForceFields::UFF::Utils::calcAngleBendGrad (RDGeom::Point3D *r, double *dist, double **g, double &dE_dTheta, double &cosTheta, double &sinTheta)