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sc::StreSimpleCo Class Reference

The StreSimpleCo class describes an stretch internal coordinate of a molecule. More...

#include <simple.h>

Inheritance diagram for sc::StreSimpleCo:

sc::SimpleCo sc::IntCoor sc::SavableState sc::DescribedClass sc::RefCount sc::Identity List of all members.

Detailed Description

The StreSimpleCo class describes an stretch internal coordinate of a molecule.

The input is described in the documentation of its parent class SimpleCo.

Designating the two atoms as $a$ and $b$ and their cartesian positions as $\bar{r}_a$ and $\bar{r}_b$, the value of the coordinate, $r$, is

\[ r = \| \bar{r}_a - \bar{r}_b \| \]


The documentation for this class was generated from the following file:
Generated at Fri Nov 26 23:51:00 2004 for MPQC 2.2.2 using the documentation package Doxygen 1.3.9.1.