NAME

       sc::StreSimpleCo - The StreSimpleCo class describes an stretch internal coordinate of a
       molecule.

SYNOPSIS

       #include <simple.h>

       Inherits sc::SimpleCo.

   Public Member Functions
       StreSimpleCo (const StreSimpleCo &)
       StreSimpleCo (const char *, int, int)
           This constructor takes a string containing a label, and two integers which are the
           indices of the atoms we're measuring the distance between.
       StreSimpleCo (const Ref< KeyVal > &)
           The KeyVal constructor.
       const char * ctype () const
           Always returns the string 'STRE'.
       double bohr () const
           Returns the distance between the two atoms in atomic units.
       double angstrom () const
           Returns the distance between the two atoms in angstrom units.
       double preferred_value () const
           Returns the distance between the two atoms in angstrom units.

   Additional Inherited Members                                                           r
Detailed Description                                                                      {
       The StreSimpleCo class describes an stretch internal coordinate of a molecule.     r
                                                                                          }
       The input is described in the docrmentation of its parent class SimpleCo.  r       _
                                    r   {                                         {       b
       Designating the two atoms as {a$ rnd $b$ and their cartesian positions as $r$ and $$lue of
       the coordinate, $r$, is r =  r - }                                         }       ,
                                    }   _                                         _       t
Constructor & Destructor Documentation  b                                                 h
   sc::StreSimpleCo::StreSimpleCo (const]char *, int, int)                                e
       This constructor takes a string containing a label, and two integers which are the indices
       of the atoms we're measuring the distance between. Atom numbering begins at atom 1, not
       atom 0.

   sc::StreSimpleCo::StreSimpleCo (const Ref< KeyVal > &)
       The KeyVal constructor. This calls the SimpleCo keyval constructor with an integer
       argument of 2.

Author

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