Enter your search terms GNU-Darwin Web Submit search form

sc::LinIPSimpleCo Class Reference The LinIPSimpleCo class describes an in-plane component of a linear bend internal coordinate of a molecule. More... #include <simple.h> Inheritance diagram for sc::LinIPSimpleCo: [legend]Collaboration diagram for sc::LinIPSimpleCo: [legend]List of all members. Detailed Description The LinIPSimpleCo class describes an in-plane component of a linear bend internal coordinate of a molecule. The input is described in the documentation of its parent class SimpleCo. A vector, , given as the keyword u, that is not colinear with either or must be provided, where , , and are the positions of the first, second, and third atoms, respectively. Usually, LinIPSimpleCo is used with a corresponding LinOPSimpleCo, which is given exactly the same u. Designating the three atoms as , , and and their cartesian positions as , , and , the value of the coordinate, , is given by The documentation for this class was generated from the following file: simple.h