## SYNOPSIS

#include <simple.h>

Inherits **sc::SimpleCo**.

## Public Member Functions

**LinIPSimpleCo** (const **LinIPSimpleCo** &)

**LinIPSimpleCo** (const char *refr, int, int, int, const **SCVector3** &u)

*This constructor takes a string containing a label, and three integers a, b, and d which give the indices of the atoms involved in the linear angle abc. *

**LinIPSimpleCo** (const **Ref**< **KeyVal** > &)

*The ***KeyVal** constructor.

const char * **ctype** () const

*Always returns the string 'LINIP'. *

double **radians** () const

*Returns the value of the angle abc in radians. *

double **degrees** () const

*Returns the value of the angle abc in degrees. *

double **preferred_value** () const

*Returns the value of the angle abc in degrees. *

## 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, $s the keyword u, that is not colinear with either $ - lly, **LinIPSimpleCo** is used with a corresponding **LinOPSimpleCo**, which is given exactly the same u.

Designating the three atoms as $a$, $b$, and $c$ and their cartesian positions as $$, $nd $lue of the coordinate, $ heta_i$, is given by

}\ }\ )\

## Constructor & Destructor Documentation

## sc::LinIPSimpleCo::LinIPSimpleCo (const char * refr, int, int, int, const **SCVector3** & u)

This constructor takes a string containing a label, and three integers a, b, and d which give the indices of the atoms involved in the linear angle abc. The last argument, u, is a unit vector used to defined the direction in which distortion is measured. Atom numbering begins at atom 1, not atom 0.

## sc::LinIPSimpleCo::LinIPSimpleCo (const **Ref**< **KeyVal** > &)

The **KeyVal** constructor. This calls the **SimpleCo** keyval constructor with an integer argument of 3.

## Author

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