# sc_LinOPSimpleCo (3) - Linux Manuals

## NAME

sc::LinOPSimpleCo -

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

## SYNOPSIS

#include <simple.h>

### Public Member Functions

**LinOPSimpleCo** (const **LinOPSimpleCo** &)

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

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

**LinOPSimpleCo** (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 **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, $s the keyword u, that is not colinear with either $ - lly, **LinOPSimpleCo** is used with a corresponding **LinIPSimpleCo**, 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_o$, is given by

[ b} = ac{ - nd c 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 perpendicular to the direction in which distortion is measured. Atom numbering begins at atom 1, not atom 0.

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

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

## Author

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