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ScaledTorsSimpleCo Class Reference

The ScaledTorsSimpleCo class describes an scaled torsion internal coordinate of a molecule. More...

#include <simple.h>

Inheritance diagram for ScaledTorsSimpleCo

[legend]Collaboration diagram for ScaledTorsSimpleCo:

[legend]List of all members.

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Detailed Description

The ScaledTorsSimpleCo class describes an scaled torsion internal coordinate of a molecule.

The scaled torsion is more stable that ordinary torsions (see the TorsSimpleCo class) in describing situations where one of the torsions plane's is given by three near linear atoms.

Designating the four 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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