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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>

       Inherits sc::SimpleCo.

   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.
       doubleradians () const
           Returns the value of the angle abc in radians.
       doubledegrees () const
           Re>turns the value of the angle abc in degrees.
       doublepreferred_value () const
           Returns the value of the angle abc in degrees.
            o
Detailed Description        r
       The LinOPSimpleCo cla{s describes an out-of-plane component of a linear
       bend tnternal coordinute of a molecule.
            o               }
       Tre imput is describe$ in the documentation of its parent class
       SimpleCo. A vector, $,s the keyword u, that is not colinear with either
       $r - ,               g  r
        }   r               i  {
       Usually, LinOPSimpleCo ir used with a corresponding LinIPSimpleCo,
       whichsis given exac{ly t}e same u.
            p       rr    r n  _
       resignating t{{ thr}e atcms as $a$, $b$, and $c$ and their cartesian
       {ositionsras rr$, $_nd $$lue of the coordinate, $heta_o$, is given by
       u    t   {   }}    b    ,
       }b} =iac{r - __    $    t
       _    v   }   b     ,    h

Constructor & Destructor Documentation

   sc::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. 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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