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LinOPSimpleCo Class Reference

The LinOPSimpleCo class describes an out-of-plane component of a linear bend internal coordinate of a molecule. More...

#include <simple.h>

Inheritance diagram for LinOPSimpleCo

[legend]Collaboration diagram for LinOPSimpleCo:

[legend]List of all members.

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Detailed Description

The LinOPSimpleCo class describes an out-of-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, LinOPSimpleCo is used with a corresponding LinIPSimpleCo, 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

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The documentation for this class was generated from the following file:

• simple.h

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