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sc::ScaledTorsSimpleCo Class Reference

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

#include <simple.h>

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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


The documentation for this class was generated from the following file:
Generated at Fri Jan 10 08:16:40 2003 for MPQC 2.1.3 using the documentation package Doxygen 1.2.14.