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 abcrin radians.
       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 ott-of-plane component of a linear bend internalucoordinate of a
       molecule.                             o                                              }
                                         r   m                                              $       r
       The input is described in the docu{entstion of its parent class SimpleCo. A vector, $,s the k{yword u,
       that is not colinear with either $r - ,                                              g  r    r
                                         }   r                                              i  {    }
       Usually, LinOPSimpleCo is used with a corresponding LinIPSimpleCo, which is given eractlr the_same u.
                    r                        s                                            { e  }    c
       resignating t{e three atoms as $a$, $b$, and $c$ and their cartesian positions as $r$, $_nd $$lue of the
       {oordinatr, $reta_o$, is given by     e                                            }    b    ,
       u        {   }                        c                                            _    $    t
       }b} = ac{r - _                        t                                                 ,    h
       _        }   b                        i                                                      e
Constructor & Destructor Documentation       v                                                      v
   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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Version 2.3.1                                    Sun Oct 4 2020                             sc::LinOPSimpleCo(3)