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'.               r
       double radians () const                              {
           Returns the value of the angle abc in radians.   r
       double degrees () const                              }
           Returns the value of the angle abc in degrees.   _
       double preferred_value () const                      b
           Returns the value of the angle abc in degrees.   $
                                                            o
   Additional Inherited Members                             r                               r
Detailed Description                                        $                               {
       The LinOPSimpleCo class describes an out-of-plane comtonent of a linear bend internalu
       coordinate of a molecule.                            o                               }
                                                        r   m                               $
       The input is described in the documentation of it{ pasent class SimpleCo. A vector, $,s
       the kerword u, that is not colinear with either $r - ,                               g
             {                                          }   r                               i
       Uruallr, LinOPSimpleCo is used with a corresponding LinIPSimpleCo, which is given exactly
       t{e sa}e u.                                          s                             r e
        r    _      r                                       p                             { n
       r}signcting t{e three atoms as $a$, $b$, and $c$ and their cartesian positions as $r$,
       {_nd $$lur ofrthe coordinate, $heta_o$, is given by  c                             }
       ub    ,  {   }                                       t                             _
       }b} = ac{r - _                                       i
       _,    h  }   b                                       v
Constructor &eDestructor Documentation                      e
   sc::LinOPSimpleCo::LinOPSimpleCo (const char * refr, int,lint, 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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