Bond

class Bond : public feasst::PropertiedEntity

Sites within the same particle may be bonded. The indices of the sites which are bonded are stored here. The type of the bond is used to determine the bond model.

Subclassed by feasst::Angle, feasst::Dihedral, feasst::Improper

class Angle : public feasst::Bond

The Angle has three site indices, listed in order of the angle. For example, angle ABC has a vertex at B. The 0 index is A, 1 is B and 2 is C.

class Dihedral : public feasst::Bond

A Dihedral has four site indicies, listed in order of the angle. For example, dihedral ABCD has a vertex along the BC vector. The 0 index is A, 1 is B, 2 is C and 3 is D.

class Improper : public feasst::Bond

Impropers are not fully implemented.